[6-(4-aminobutylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(3R)-3-amino-4-methylpentyl]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;2-[[6-(2-aminopyridine-3-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]amino]acetamide;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone

C78H82F15N23O7 — CID 159386815

IUPAC[6-(4-aminobutylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(3R)-3-amino-4-methylpentyl]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;2-[[6-(2-aminopyridine-3-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]amino]acetamide;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCC(C)[C@H](N)CCc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.CNCCN(C)c1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.NC(=O)CNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.NCCCCNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.NCCOc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1
InChIInChI=1S/C18H21F3N4O.2C16H18F3N5O.C14H12F3N5O2.C14H13F3N4O2/c1-10(2)14(22)8-6-11-5-7-13(18(19,20)21)15(25-11)16(26)12-4-3-9-24-17(12)23;1-21-8-9-24(2)12-6-5-11(16(17,18)19)13(23-12)14(25)10-4-3-7-22-15(10)20;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;15-14(16,17)8-3-4-10(21-6-9(18)23)22-11(8)12(24)7-2-1-5-20-13(7)19;15-14(16,17)9-3-4-10(23-7-5-18)21-11(9)12(22)8-2-1-6-20-13(8)19/h3-5,7,9-10,14H,6,8,22H2,1-2H3,(H2,23,24);3-7,21H,8-9H2,1-2H3,(H2,20,22);3-6,9H,1-2,7-8,20H2,(H2,21,23)(H,22,24);1-5H,6H2,(H2,18,23)(H2,19,20)(H,21,22);1-4,6H,5,7,18H2,(H2,19,20)/t14-;;;;/m1..../s1
InChIKeyLLPGPCZFCJZPDR-WGVOJFRMSA-N
MW1738.64 g/mol
LogP10.50
Rot. Bonds29

About [6-(4-aminobutylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(3R)-3-amino-4-methylpentyl]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;2-[[6-(2-aminopyridine-3-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]amino]acetamide;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone

[6-(4-aminobutylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(3R)-3-amino-4-methylpentyl]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;2-[[6-(2-aminopyridine-3-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]amino]acetamide;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone (PubChem CID 159386815) has the molecular formula C78H82F15N23O7 and a molecular weight of 1738.64 g/mol. Its IUPAC name is [6-(4-aminobutylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(3R)-3-amino-4-methylpentyl]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;2-[[6-(2-aminopyridine-3-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]amino]acetamide;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[6-(4-aminobutylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(3R)-3-amino-4-methylpentyl]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;2-[[6-(2-aminopyridine-3-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]amino]acetamide;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone
PubChem CID159386815
Molecular FormulaC78H82F15N23O7
Molecular Weight1738.64 g/mol
Exact Mass1737.65
IUPAC Name[6-(4-aminobutylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(3R)-3-amino-4-methylpentyl]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;2-[[6-(2-aminopyridine-3-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]amino]acetamide;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCC(C)[C@H](N)CCc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.CNCCN(C)c1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.NC(=O)CNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.NCCCCNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.NCCOc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1
InChIInChI=1S/C18H21F3N4O.2C16H18F3N5O.C14H12F3N5O2.C14H13F3N4O2/c1-10(2)14(22)8-6-11-5-7-13(18(19,20)21)15(25-11)16(26)12-4-3-9-24-17(12)23;1-21-8-9-24(2)12-6-5-11(16(17,18)19)13(23-12)14(25)10-4-3-7-22-15(10)20;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;15-14(16,17)8-3-4-10(21-6-9(18)23)22-11(8)12(24)7-2-1-5-20-13(7)19;15-14(16,17)9-3-4-10(23-7-5-18)21-11(9)12(22)8-2-1-6-20-13(8)19/h3-5,7,9-10,14H,6,8,22H2,1-2H3,(H2,23,24);3-7,21H,8-9H2,1-2H3,(H2,20,22);3-6,9H,1-2,7-8,20H2,(H2,21,23)(H,22,24);1-5H,6H2,(H2,18,23)(H2,19,20)(H,21,22);1-4,6H,5,7,18H2,(H2,19,20)/t14-;;;;/m1..../s1
InChIKeyLLPGPCZFCJZPDR-WGVOJFRMSA-N
XLogP10.50
TPSA514.06 Ų
H-Bond Donors12
H-Bond Acceptors29
Rotatable Bonds29
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001738.64
LogP ≤ 510.50
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1029

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-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(3R)-3-amino-4-methylpentyl]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;2-[[6-(2-aminopyridine-3-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]amino]acetamide;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(2-aminopyridin-3-yl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanone
CID 24994728
(2-aminopyridin-3-yl)-[3-(difluoromethoxy)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyridin-2-yl]methanone
CID 57690531
2-(1,1-difluoroethyl)-N-[5-(2-ethoxy-6-morpholin-4-ylpyridin-4-yl)-6-methylpyridin-3-yl]pyridine-4-carboxamide
CID 117609729
2-(difluoromethyl)-N-[5-(2-ethoxy-6-morpholin-4-ylpyridin-4-yl)-6-methylpyridin-3-yl]pyridine-4-carboxamide
CID 117610117
N-[5-(2-ethoxy-6-morpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 117609724
2-cyclopropyl-N-[5-(2-ethoxy-6-morpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide
CID 117610041
US9656988, Example 124
CID 118114793
6-(furan-2-yl)-N-(2-morpholin-4-ylethyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 172435071
N-[3-fluoro-4-[[2-(3-morpholin-4-ylpropylcarbamoyl)-4-pyridinyl]oxy]phenyl]-1-(4-methoxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 177642782
N-[3-fluoro-4-[[2-(3-morpholin-4-ylpropylcarbamoyl)-4-pyridinyl]oxy]phenyl]-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 177644299
1-(4-methoxyphenyl)-N-[4-[[2-(3-morpholin-4-ylpropylcarbamoyl)-4-pyridinyl]oxy]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 177643321
6-(4-Benzyloxy-2-fluoro-phenyl)-9,9-dimethyl-5-(6-methylpyridine-2-carbonyl)-6,8,10,11-tetrahydropyrido[3,2-b][1,4]benzodiazepin-7-one
CID 49774367

Frequently Asked Questions

What is the IUPAC name of [6-(4-aminobutylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(3R)-3-amino-4-methylpentyl]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;2-[[6-(2-aminopyridine-3-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]amino]acetamide;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone?
The IUPAC name of [6-(4-aminobutylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(3R)-3-amino-4-methylpentyl]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;2-[[6-(2-aminopyridine-3-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]amino]acetamide;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone (CID 159386815) is [6-(4-aminobutylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(3R)-3-amino-4-methylpentyl]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;2-[[6-(2-aminopyridine-3-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]amino]acetamide;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone.
What is the SMILES notation for [6-(4-aminobutylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(3R)-3-amino-4-methylpentyl]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;2-[[6-(2-aminopyridine-3-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]amino]acetamide;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone?
The canonical SMILES for [6-(4-aminobutylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(3R)-3-amino-4-methylpentyl]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;2-[[6-(2-aminopyridine-3-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]amino]acetamide;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone is CC(C)[C@H](N)CCc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.CNCCN(C)c1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.NC(=O)CNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.NCCCCNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.NCCOc1ccc(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-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(3R)-3-amino-4-methylpentyl]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;2-[[6-(2-aminopyridine-3-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]amino]acetamide;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone?
The InChIKey is LLPGPCZFCJZPDR-WGVOJFRMSA-N. The full InChI is InChI=1S/C18H21F3N4O.2C16H18F3N5O.C14H12F3N5O2.C14H13F3N4O2/c1-10(2)14(22)8-6-11-5-7-13(18(19,20)21)15(25-11)16(26)12-4-3-9-24-17(12)23;1-21-8-9-24(2)12-6-5-11(16(17,18)19)13(23-12)14(25)10-4-3-7-22-15(10)20;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;15-14(16,17)8-3-4-10(21-6-9(18)23)22-11(8)12(24)7-2-1-5-20-13(7)19;15-14(16,17)9-3-4-10(23-7-5-18)21-11(9)12(22)8-2-1-6-20-13(8)19/h3-5,7,9-10,14H,6,8,22H2,1-2H3,(H2,23,24);3-7,21H,8-9H2,1-2H3,(H2,20,22);3-6,9H,1-2,7-8,20H2,(H2,21,23)(H,22,24);1-5H,6H2,(H2,18,23)(H2,19,20)(H,21,22);1-4,6H,5,7,18H2,(H2,19,20)/t14-;;;;/m1..../s1.
What are the key properties of [6-(4-aminobutylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(3R)-3-amino-4-methylpentyl]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;2-[[6-(2-aminopyridine-3-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]amino]acetamide;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone?
[6-(4-aminobutylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(3R)-3-amino-4-methylpentyl]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;2-[[6-(2-aminopyridine-3-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]amino]acetamide;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone has a molecular weight of 1738.64 g/mol, XLogP of 10.50, 29 rotatable bonds, 12 hydrogen bond donors, and 29 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-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(3R)-3-amino-4-methylpentyl]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;2-[[6-(2-aminopyridine-3-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]amino]acetamide;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 159386815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).