[6-(4-aminobutylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-aminopropylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(butylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(2,2-dimethylpropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[[(3S)-2-methylpentan-3-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(propylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-propylsulfanyl-3-(trifluoromethyl)-2-pyridinyl]methanone

C112H120F21N29O7S — CID 159919289

IUPAC[6-(4-aminobutylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-aminopropylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(butylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(2,2-dimethylpropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[[(3S)-2-methylpentan-3-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(propylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-propylsulfanyl-3-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCC(C)(C)CNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.CCCCNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.CCCNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.CCCSc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.CC[C@H](Nc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1)C(C)C.NCCCCNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.NCCCNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1
InChIInChI=1S/C18H21F3N4O.C17H19F3N4O.C16H18F3N5O.C16H17F3N4O.C15H16F3N5O.C15H15F3N4O.C15H14F3N3OS/c1-4-13(10(2)3)24-14-8-7-12(18(19,20)21)15(25-14)16(26)11-6-5-9-23-17(11)22;1-16(2,3)9-23-12-7-6-11(17(18,19)20)13(24-12)14(25)10-5-4-8-22-15(10)21;17-16(18,19)11-5-6-12(22-8-2-1-7-20)24-13(11)14(25)10-4-3-9-23-15(10)21;1-2-3-8-21-12-7-6-11(16(17,18)19)13(23-12)14(24)10-5-4-9-22-15(10)20;16-15(17,18)10-4-5-11(21-8-2-6-19)23-12(10)13(24)9-3-1-7-22-14(9)20;1-2-7-20-11-6-5-10(15(16,17)18)12(22-11)13(23)9-4-3-8-21-14(9)19;1-2-8-23-11-6-5-10(15(16,17)18)12(21-11)13(22)9-4-3-7-20-14(9)19/h5-10,13H,4H2,1-3H3,(H2,22,23)(H,24,25);4-8H,9H2,1-3H3,(H2,21,22)(H,23,24);3-6,9H,1-2,7-8,20H2,(H2,21,23)(H,22,24);4-7,9H,2-3,8H2,1H3,(H2,20,22)(H,21,23);1,3-5,7H,2,6,8,19H2,(H2,20,22)(H,21,23);3-6,8H,2,7H2,1H3,(H2,19,21)(H,20,22);3-7H,2,8H2,1H3,(H2,19,20)/t13-;;;;;;/m0....../s1
InChIKeyNYEOSBYDVHAIDP-DTSSWESASA-N
MW2415.41 g/mol
LogP22.91
Rot. Bonds39

About [6-(4-aminobutylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-aminopropylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(butylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(2,2-dimethylpropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[[(3S)-2-methylpentan-3-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(propylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-propylsulfanyl-3-(trifluoromethyl)-2-pyridinyl]methanone

[6-(4-aminobutylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-aminopropylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(butylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(2,2-dimethylpropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[[(3S)-2-methylpentan-3-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(propylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-propylsulfanyl-3-(trifluoromethyl)-2-pyridinyl]methanone (PubChem CID 159919289) has the molecular formula C112H120F21N29O7S and a molecular weight of 2415.41 g/mol. Its IUPAC name is [6-(4-aminobutylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-aminopropylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(butylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(2,2-dimethylpropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[[(3S)-2-methylpentan-3-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(propylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-propylsulfanyl-3-(trifluoromethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[6-(4-aminobutylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-aminopropylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(butylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(2,2-dimethylpropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[[(3S)-2-methylpentan-3-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(propylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-propylsulfanyl-3-(trifluoromethyl)-2-pyridinyl]methanone
PubChem CID159919289
Molecular FormulaC112H120F21N29O7S
Molecular Weight2415.41 g/mol
Exact Mass2413.93
IUPAC Name[6-(4-aminobutylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-aminopropylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(butylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(2,2-dimethylpropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[[(3S)-2-methylpentan-3-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(propylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-propylsulfanyl-3-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCC(C)(C)CNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.CCCCNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.CCCNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.CCCSc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.CC[C@H](Nc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1)C(C)C.NCCCCNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.NCCCNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1
InChIInChI=1S/C18H21F3N4O.C17H19F3N4O.C16H18F3N5O.C16H17F3N4O.C15H16F3N5O.C15H15F3N4O.C15H14F3N3OS/c1-4-13(10(2)3)24-14-8-7-12(18(19,20)21)15(25-14)16(26)11-6-5-9-23-17(11)22;1-16(2,3)9-23-12-7-6-11(17(18,19)20)13(24-12)14(25)10-5-4-8-22-15(10)21;17-16(18,19)11-5-6-12(22-8-2-1-7-20)24-13(11)14(25)10-4-3-9-23-15(10)21;1-2-3-8-21-12-7-6-11(16(17,18)19)13(23-12)14(24)10-5-4-9-22-15(10)20;16-15(17,18)10-4-5-11(21-8-2-6-19)23-12(10)13(24)9-3-1-7-22-14(9)20;1-2-7-20-11-6-5-10(15(16,17)18)12(22-11)13(23)9-4-3-8-21-14(9)19;1-2-8-23-11-6-5-10(15(16,17)18)12(21-11)13(22)9-4-3-7-20-14(9)19/h5-10,13H,4H2,1-3H3,(H2,22,23)(H,24,25);4-8H,9H2,1-3H3,(H2,21,22)(H,23,24);3-6,9H,1-2,7-8,20H2,(H2,21,23)(H,22,24);4-7,9H,2-3,8H2,1H3,(H2,20,22)(H,21,23);1,3-5,7H,2,6,8,19H2,(H2,20,22)(H,21,23);3-6,8H,2,7H2,1H3,(H2,19,21)(H,20,22);3-7H,2,8H2,1H3,(H2,19,20)/t13-;;;;;;/m0....../s1
InChIKeyNYEOSBYDVHAIDP-DTSSWESASA-N
XLogP22.91
TPSA606.31 Ų
H-Bond Donors15
H-Bond Acceptors37
Rotatable Bonds39
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002415.41
LogP ≤ 522.91
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [6-(4-aminobutylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-aminopropylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(butylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(2,2-dimethylpropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[[(3S)-2-methylpentan-3-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(propylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-propylsulfanyl-3-(trifluoromethyl)-2-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-(2-Aminoethylsulfanyl)-3-(trifluoromethyl)pyridin-2-yl]-(2-aminopyridin-3-yl)methanone
CID 57690685
[6-(2-Amino-2-methylpropyl)sulfanyl-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone
CID 78324602
[6-(2-Aminoethylsulfanyl)-3-(1,1-difluoroethyl)pyridin-2-yl]-(2-aminopyridin-3-yl)methanone
CID 89594515
(2-Amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylsulfanyl)-3-(trifluoromethyl)-2-pyridinyl]methanone
CID 89594517
[6-[(2-amino-2,4-dimethylpentyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(2-amino-2-phenylbutyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3R)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen
CID 157114809
(2-amino-5-ethenyl-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethyl-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 157150151
(2-amino-5-bromo-3-pyridinyl)-[6-[(3S,5S)-3-methyl-5-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(2R)-2-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 157170454
[6-(2-aminoethylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[(2R)-1-amino-3-methylbutan-2-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(2-amino-2-methylpropyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(3-hydrazinylpyrrolidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone
CID 157210893
(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[3-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-methyl-5-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen;hydroiodide
CID 157239963
7-acetyl-2-anilino-5-methyl-1-phenyl-1,8-naphthyridin-4-one;7-anilino-N-cyclopropyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;7-anilino-N,N-diethyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;2-anilino-7-ethylsulfanyl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;7-anilino-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;molecular hydrogen
CID 157364799
(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-phenylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-phenyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 157381281
[6-[(2-Amino-2,4-dimethylpentyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[3-(cyclopropylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-cyclopropylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 157457249

Frequently Asked Questions

What is the IUPAC name of [6-(4-aminobutylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-aminopropylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(butylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(2,2-dimethylpropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[[(3S)-2-methylpentan-3-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(propylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-propylsulfanyl-3-(trifluoromethyl)-2-pyridinyl]methanone?
The IUPAC name of [6-(4-aminobutylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-aminopropylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(butylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(2,2-dimethylpropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[[(3S)-2-methylpentan-3-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(propylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-propylsulfanyl-3-(trifluoromethyl)-2-pyridinyl]methanone (CID 159919289) is [6-(4-aminobutylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-aminopropylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(butylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(2,2-dimethylpropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[[(3S)-2-methylpentan-3-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(propylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-propylsulfanyl-3-(trifluoromethyl)-2-pyridinyl]methanone.
What is the SMILES notation for [6-(4-aminobutylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-aminopropylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(butylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(2,2-dimethylpropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[[(3S)-2-methylpentan-3-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(propylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-propylsulfanyl-3-(trifluoromethyl)-2-pyridinyl]methanone?
The canonical SMILES for [6-(4-aminobutylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-aminopropylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(butylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(2,2-dimethylpropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[[(3S)-2-methylpentan-3-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(propylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-propylsulfanyl-3-(trifluoromethyl)-2-pyridinyl]methanone is CC(C)(C)CNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.CCCCNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.CCCNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.CCCSc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.CC[C@H](Nc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1)C(C)C.NCCCCNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.NCCCNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.
What is the InChIKey of [6-(4-aminobutylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-aminopropylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(butylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(2,2-dimethylpropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[[(3S)-2-methylpentan-3-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(propylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-propylsulfanyl-3-(trifluoromethyl)-2-pyridinyl]methanone?
The InChIKey is NYEOSBYDVHAIDP-DTSSWESASA-N. The full InChI is InChI=1S/C18H21F3N4O.C17H19F3N4O.C16H18F3N5O.C16H17F3N4O.C15H16F3N5O.C15H15F3N4O.C15H14F3N3OS/c1-4-13(10(2)3)24-14-8-7-12(18(19,20)21)15(25-14)16(26)11-6-5-9-23-17(11)22;1-16(2,3)9-23-12-7-6-11(17(18,19)20)13(24-12)14(25)10-5-4-8-22-15(10)21;17-16(18,19)11-5-6-12(22-8-2-1-7-20)24-13(11)14(25)10-4-3-9-23-15(10)21;1-2-3-8-21-12-7-6-11(16(17,18)19)13(23-12)14(24)10-5-4-9-22-15(10)20;16-15(17,18)10-4-5-11(21-8-2-6-19)23-12(10)13(24)9-3-1-7-22-14(9)20;1-2-7-20-11-6-5-10(15(16,17)18)12(22-11)13(23)9-4-3-8-21-14(9)19;1-2-8-23-11-6-5-10(15(16,17)18)12(21-11)13(22)9-4-3-7-20-14(9)19/h5-10,13H,4H2,1-3H3,(H2,22,23)(H,24,25);4-8H,9H2,1-3H3,(H2,21,22)(H,23,24);3-6,9H,1-2,7-8,20H2,(H2,21,23)(H,22,24);4-7,9H,2-3,8H2,1H3,(H2,20,22)(H,21,23);1,3-5,7H,2,6,8,19H2,(H2,20,22)(H,21,23);3-6,8H,2,7H2,1H3,(H2,19,21)(H,20,22);3-7H,2,8H2,1H3,(H2,19,20)/t13-;;;;;;/m0....../s1.
What are the key properties of [6-(4-aminobutylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-aminopropylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(butylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(2,2-dimethylpropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[[(3S)-2-methylpentan-3-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(propylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-propylsulfanyl-3-(trifluoromethyl)-2-pyridinyl]methanone?
[6-(4-aminobutylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-aminopropylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(butylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(2,2-dimethylpropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[[(3S)-2-methylpentan-3-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(propylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-propylsulfanyl-3-(trifluoromethyl)-2-pyridinyl]methanone has a molecular weight of 2415.41 g/mol, XLogP of 22.91, 39 rotatable bonds, 15 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-aminobutylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-aminopropylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(butylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(2,2-dimethylpropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[[(3S)-2-methylpentan-3-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(propylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-propylsulfanyl-3-(trifluoromethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 159919289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).