[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

C63H69F12N21O4 — CID 157210893

IUPAC[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
SMILESCC(C)(N)CNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.CC(C)[C@H](CN)Nc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.NCCNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.NNC1CCN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)C1
InChIInChI=1S/C17H20F3N5O.C16H17F3N6O.C16H18F3N5O.C14H14F3N5O/c1-9(2)12(8-21)24-13-6-5-11(17(18,19)20)14(25-13)15(26)10-4-3-7-23-16(10)22;17-16(18,19)11-3-4-12(25-7-5-9(8-25)24-21)23-13(11)14(26)10-2-1-6-22-15(10)20;1-15(2,21)8-23-11-6-5-10(16(17,18)19)12(24-11)13(25)9-4-3-7-22-14(9)20;15-14(16,17)9-3-4-10(20-7-5-18)22-11(9)12(23)8-2-1-6-21-13(8)19/h3-7,9,12H,8,21H2,1-2H3,(H2,22,23)(H,24,25);1-4,6,9,24H,5,7-8,21H2,(H2,20,22);3-7H,8,21H2,1-2H3,(H2,20,22)(H,23,24);1-4,6H,5,7,18H2,(H2,19,21)(H,20,22)/t12-;;;/m0.../s1
InChIKeyARWNASOOUFPJRQ-JNQXMBDASA-N
MW1412.36 g/mol
LogP8.19
Rot. Bonds20

About [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

[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 (PubChem CID 157210893) has the molecular formula C63H69F12N21O4 and a molecular weight of 1412.36 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID157210893
Molecular FormulaC63H69F12N21O4
Molecular Weight1412.36 g/mol
Exact Mass1411.56
IUPAC Name[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
SMILESCC(C)(N)CNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.CC(C)[C@H](CN)Nc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.NCCNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.NNC1CCN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)C1
InChIInChI=1S/C17H20F3N5O.C16H17F3N6O.C16H18F3N5O.C14H14F3N5O/c1-9(2)12(8-21)24-13-6-5-11(17(18,19)20)14(25-13)15(26)10-4-3-7-23-16(10)22;17-16(18,19)11-3-4-12(25-7-5-9(8-25)24-21)23-13(11)14(26)10-2-1-6-22-15(10)20;1-15(2,21)8-23-11-6-5-10(16(17,18)19)12(24-11)13(25)9-4-3-7-22-14(9)20;15-14(16,17)9-3-4-10(20-7-5-18)22-11(9)12(23)8-2-1-6-21-13(8)19/h3-7,9,12H,8,21H2,1-2H3,(H2,22,23)(H,24,25);1-4,6,9,24H,5,7-8,21H2,(H2,20,22);3-7H,8,21H2,1-2H3,(H2,20,22)(H,23,24);1-4,6H,5,7,18H2,(H2,19,21)(H,20,22)/t12-;;;/m0.../s1
InChIKeyARWNASOOUFPJRQ-JNQXMBDASA-N
XLogP8.19
TPSA430.92 Ų
H-Bond Donors12
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001412.36
LogP ≤ 58.19
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [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 with MolForge

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Launch Full Analysis

Related Compounds

(S)-(2-aminopyridin-3-yl)(6-(3-isobutylpiperazin-1-yl)-3-(trifluoromethyl)pyridin-2-yl)methanone
CID 24995659
[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(3-pyrazolidin-4-ylphenyl)methanone
CID 119098934
[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(5-phenylpyrazolidin-3-yl)methanone
CID 119098935
[2-(4-Methylpiperazin-1-yl)phenyl]-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119098945
[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(3-phenylpyrazolidin-4-yl)methanone
CID 119098953
[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(3-pyrazolidin-3-ylphenyl)methanone
CID 119098987
[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-pyridin-3-ylmethanone
CID 119099019
[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-pyridin-2-ylmethanone
CID 119099029
(2-Aminopyridin-3-yl)-[3-(difluoromethyl)-6-(3-phenylpiperazin-1-yl)pyridin-2-yl]methanone
CID 24994414
(2-Aminopyridin-3-yl)-[6-[3-(3-methylphenyl)piperazin-1-yl]-3-(trifluoromethyl)pyridin-2-yl]methanone
CID 24994723
(2-Aminopyridin-3-yl)-[3-(1,1-difluoroethyl)-6-(3-phenylpiperazin-1-yl)pyridin-2-yl]methanone
CID 24995039
(2-aminopyridin-3-yl)-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)pyridin-2-yl]methanone
CID 24995356

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC(C)(N)CNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.CC(C)[C@H](CN)Nc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.NCCNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.NNC1CCN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)C1.
What is the InChIKey of [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?
The InChIKey is ARWNASOOUFPJRQ-JNQXMBDASA-N. The full InChI is InChI=1S/C17H20F3N5O.C16H17F3N6O.C16H18F3N5O.C14H14F3N5O/c1-9(2)12(8-21)24-13-6-5-11(17(18,19)20)14(25-13)15(26)10-4-3-7-23-16(10)22;17-16(18,19)11-3-4-12(25-7-5-9(8-25)24-21)23-13(11)14(26)10-2-1-6-22-15(10)20;1-15(2,21)8-23-11-6-5-10(16(17,18)19)12(24-11)13(25)9-4-3-7-22-14(9)20;15-14(16,17)9-3-4-10(20-7-5-18)22-11(9)12(23)8-2-1-6-21-13(8)19/h3-7,9,12H,8,21H2,1-2H3,(H2,22,23)(H,24,25);1-4,6,9,24H,5,7-8,21H2,(H2,20,22);3-7H,8,21H2,1-2H3,(H2,20,22)(H,23,24);1-4,6H,5,7,18H2,(H2,19,21)(H,20,22)/t12-;;;/m0.../s1.
What are the key properties of [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?
[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 has a molecular weight of 1412.36 g/mol, XLogP of 8.19, 20 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 157210893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).