(2R)-2-aminobutanamide;6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-2-(quinolin-3-ylamino)pyridine-3-carboxamide;(2R)-2-[(6-chloro-3-cyano-2-pyridinyl)amino]butanamide;bis((2R)-2-[(6-chloro-5-cyano-2-pyridinyl)amino]butanamide);(2R)-2-[[5-cyano-6-(quinolin-3-ylamino)-2-pyridinyl]amino]butanamide;2,6-dichloropyridine-3-carbonitrile;quinolin-3-amine;hydrochloride

C87H92Cl6N30O7 — CID 158620838

IUPAC(2R)-2-aminobutanamide;6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-2-(quinolin-3-ylamino)pyridine-3-carboxamide;(2R)-2-[(6-chloro-3-cyano-2-pyridinyl)amino]butanamide;bis((2R)-2-[(6-chloro-5-cyano-2-pyridinyl)amino]butanamide);(2R)-2-[[5-cyano-6-(quinolin-3-ylamino)-2-pyridinyl]amino]butanamide;2,6-dichloropyridine-3-carbonitrile;quinolin-3-amine;hydrochloride
SMILESCC[C@@H](N)C(N)=O.CC[C@@H](Nc1ccc(C#N)c(Cl)n1)C(N)=O.CC[C@@H](Nc1ccc(C#N)c(Cl)n1)C(N)=O.CC[C@@H](Nc1ccc(C#N)c(Nc2cnc3ccccc3c2)n1)C(N)=O.CC[C@@H](Nc1ccc(C(N)=O)c(Nc2cnc3ccccc3c2)n1)C(N)=O.CC[C@@H](Nc1nc(Cl)ccc1C#N)C(N)=O.Cl.N#Cc1ccc(Cl)nc1Cl.Nc1cnc2ccccc2c1
InChIInChI=1S/C19H20N6O2.C19H18N6O.3C10H11ClN4O.C9H8N2.C6H2Cl2N2.C4H10N2O.ClH/c1-2-14(18(21)27)24-16-8-7-13(17(20)26)19(25-16)23-12-9-11-5-3-4-6-15(11)22-10-12;1-2-15(18(21)26)24-17-8-7-13(10-20)19(25-17)23-14-9-12-5-3-4-6-16(12)22-11-14;1-2-7(9(13)16)14-10-6(5-12)3-4-8(11)15-10;2*1-2-7(10(13)16)14-8-4-3-6(5-12)9(11)15-8;10-8-5-7-3-1-2-4-9(7)11-6-8;7-5-2-1-4(3-9)6(8)10-5;1-2-3(5)4(6)7;/h3-10,14H,2H2,1H3,(H2,20,26)(H2,21,27)(H2,23,24,25);3-9,11,15H,2H2,1H3,(H2,21,26)(H2,23,24,25);3*3-4,7H,2H2,1H3,(H2,13,16)(H,14,15);1-6H,10H2;1-2H;3H,2,5H2,1H3,(H2,6,7);1H/t14-;15-;3*7-;;;3-;/m11111..1./s1
InChIKeyHTKKLDKXKWVZOH-ABAJAMJMSA-N
MW1882.61 g/mol
LogP12.62
Rot. Bonds27

About (2R)-2-aminobutanamide;6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-2-(quinolin-3-ylamino)pyridine-3-carboxamide;(2R)-2-[(6-chloro-3-cyano-2-pyridinyl)amino]butanamide;bis((2R)-2-[(6-chloro-5-cyano-2-pyridinyl)amino]butanamide);(2R)-2-[[5-cyano-6-(quinolin-3-ylamino)-2-pyridinyl]amino]butanamide;2,6-dichloropyridine-3-carbonitrile;quinolin-3-amine;hydrochloride

(2R)-2-aminobutanamide;6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-2-(quinolin-3-ylamino)pyridine-3-carboxamide;(2R)-2-[(6-chloro-3-cyano-2-pyridinyl)amino]butanamide;bis((2R)-2-[(6-chloro-5-cyano-2-pyridinyl)amino]butanamide);(2R)-2-[[5-cyano-6-(quinolin-3-ylamino)-2-pyridinyl]amino]butanamide;2,6-dichloropyridine-3-carbonitrile;quinolin-3-amine;hydrochloride (PubChem CID 158620838) has the molecular formula C87H92Cl6N30O7 and a molecular weight of 1882.61 g/mol. Its IUPAC name is (2R)-2-aminobutanamide;6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-2-(quinolin-3-ylamino)pyridine-3-carboxamide;(2R)-2-[(6-chloro-3-cyano-2-pyridinyl)amino]butanamide;bis((2R)-2-[(6-chloro-5-cyano-2-pyridinyl)amino]butanamide);(2R)-2-[[5-cyano-6-(quinolin-3-ylamino)-2-pyridinyl]amino]butanamide;2,6-dichloropyridine-3-carbonitrile;quinolin-3-amine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-aminobutanamide;6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-2-(quinolin-3-ylamino)pyridine-3-carboxamide;(2R)-2-[(6-chloro-3-cyano-2-pyridinyl)amino]butanamide;bis((2R)-2-[(6-chloro-5-cyano-2-pyridinyl)amino]butanamide);(2R)-2-[[5-cyano-6-(quinolin-3-ylamino)-2-pyridinyl]amino]butanamide;2,6-dichloropyridine-3-carbonitrile;quinolin-3-amine;hydrochloride
PubChem CID158620838
Molecular FormulaC87H92Cl6N30O7
Molecular Weight1882.61 g/mol
Exact Mass1878.59
IUPAC Name(2R)-2-aminobutanamide;6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-2-(quinolin-3-ylamino)pyridine-3-carboxamide;(2R)-2-[(6-chloro-3-cyano-2-pyridinyl)amino]butanamide;bis((2R)-2-[(6-chloro-5-cyano-2-pyridinyl)amino]butanamide);(2R)-2-[[5-cyano-6-(quinolin-3-ylamino)-2-pyridinyl]amino]butanamide;2,6-dichloropyridine-3-carbonitrile;quinolin-3-amine;hydrochloride
SMILESCC[C@@H](N)C(N)=O.CC[C@@H](Nc1ccc(C#N)c(Cl)n1)C(N)=O.CC[C@@H](Nc1ccc(C#N)c(Cl)n1)C(N)=O.CC[C@@H](Nc1ccc(C#N)c(Nc2cnc3ccccc3c2)n1)C(N)=O.CC[C@@H](Nc1ccc(C(N)=O)c(Nc2cnc3ccccc3c2)n1)C(N)=O.CC[C@@H](Nc1nc(Cl)ccc1C#N)C(N)=O.Cl.N#Cc1ccc(Cl)nc1Cl.Nc1cnc2ccccc2c1
InChIInChI=1S/C19H20N6O2.C19H18N6O.3C10H11ClN4O.C9H8N2.C6H2Cl2N2.C4H10N2O.ClH/c1-2-14(18(21)27)24-16-8-7-13(17(20)26)19(25-16)23-12-9-11-5-3-4-6-15(11)22-10-12;1-2-15(18(21)26)24-17-8-7-13(10-20)19(25-17)23-14-9-12-5-3-4-6-16(12)22-11-14;1-2-7(9(13)16)14-10-6(5-12)3-4-8(11)15-10;2*1-2-7(10(13)16)14-8-4-3-6(5-12)9(11)15-8;10-8-5-7-3-1-2-4-9(7)11-6-8;7-5-2-1-4(3-9)6(8)10-5;1-2-3(5)4(6)7;/h3-10,14H,2H2,1H3,(H2,20,26)(H2,21,27)(H2,23,24,25);3-9,11,15H,2H2,1H3,(H2,21,26)(H2,23,24,25);3*3-4,7H,2H2,1H3,(H2,13,16)(H,14,15);1-6H,10H2;1-2H;3H,2,5H2,1H3,(H2,6,7);1H/t14-;15-;3*7-;;;3-;/m11111..1./s1
InChIKeyHTKKLDKXKWVZOH-ABAJAMJMSA-N
XLogP12.62
TPSA672.84 Ų
H-Bond Donors16
H-Bond Acceptors30
Rotatable Bonds27
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001882.61
LogP ≤ 512.62
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2R)-2-aminobutanamide;6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-2-(quinolin-3-ylamino)pyridine-3-carboxamide;(2R)-2-[(6-chloro-3-cyano-2-pyridinyl)amino]butanamide;bis((2R)-2-[(6-chloro-5-cyano-2-pyridinyl)amino]butanamide);(2R)-2-[[5-cyano-6-(quinolin-3-ylamino)-2-pyridinyl]amino]butanamide;2,6-dichloropyridine-3-carbonitrile;quinolin-3-amine;hydrochloride with MolForge

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Related Compounds

5-chloro-N-[4-(3-chloroquinolin-4-yl)-6-[2-(methylamino)propanoylamino]-2-pyridinyl]pyridine-2-carboxamide
CID 117902433
(S)-5-chloro-6-(4-(1-(7-chloroquinoline-4-carbonyl)piperidin-4-yl)-3-methylpiperazin-1-yl)-N-methylnicotinamide
CID 53322503
6-amino-N-[2-(diethylamino)ethyl]pyridine-3-carboxamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-[2-(diethylamino)ethyl]-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide)
CID 157595965
6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide
CID 157927734
N-[4-chloro-3-(5-phenyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide
CID 158198223
6-amino-N,N-dimethylpyridine-3-carboxamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide);methane
CID 158320660
6-amino-N,N-dimethylpyridine-3-carboxamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide)
CID 158805901
6-[(1-amino-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide;bis(2-amino-4,4,4-trifluorobutanamide);2-amino-4,4,4-trifluorobutanoic acid;tert-butyl N-(1-amino-4,4,4-trifluoro-1-oxobutan-2-yl)carbamate;2-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]butanamide;2-[[5-cyano-3-fluoro-6-(quinolin-3-ylamino)-2-pyridinyl]amino]butanamide;2,6-dichloro-5-fluoropyridine-3-carbonitrile;2-oxoboranylethynol;quinolin-3-amine;4,4,4-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 159847125
6-chloro-4-[(2,2-difluorocyclopentyl)amino]-N-methylpyridine-3-carboxamide;4-[(2,2-difluorocyclopentyl)amino]-N-methyl-6-(quinolin-2-ylamino)pyridine-3-carboxamide;quinolin-2-amine
CID 160078829
2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-(pyridin-3-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);pyridin-3-amine
CID 160141058
2-(pyridin-4-ylmethylamino)-N-quinolin-8-ylpyridine-3-carboxamide;2-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;hydrochloride
CID 160416765
6-amino-N-methylpyridine-3-carboxamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide)
CID 160485860

Frequently Asked Questions

What is the IUPAC name of (2R)-2-aminobutanamide;6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-2-(quinolin-3-ylamino)pyridine-3-carboxamide;(2R)-2-[(6-chloro-3-cyano-2-pyridinyl)amino]butanamide;bis((2R)-2-[(6-chloro-5-cyano-2-pyridinyl)amino]butanamide);(2R)-2-[[5-cyano-6-(quinolin-3-ylamino)-2-pyridinyl]amino]butanamide;2,6-dichloropyridine-3-carbonitrile;quinolin-3-amine;hydrochloride?
The IUPAC name of (2R)-2-aminobutanamide;6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-2-(quinolin-3-ylamino)pyridine-3-carboxamide;(2R)-2-[(6-chloro-3-cyano-2-pyridinyl)amino]butanamide;bis((2R)-2-[(6-chloro-5-cyano-2-pyridinyl)amino]butanamide);(2R)-2-[[5-cyano-6-(quinolin-3-ylamino)-2-pyridinyl]amino]butanamide;2,6-dichloropyridine-3-carbonitrile;quinolin-3-amine;hydrochloride (CID 158620838) is (2R)-2-aminobutanamide;6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-2-(quinolin-3-ylamino)pyridine-3-carboxamide;(2R)-2-[(6-chloro-3-cyano-2-pyridinyl)amino]butanamide;bis((2R)-2-[(6-chloro-5-cyano-2-pyridinyl)amino]butanamide);(2R)-2-[[5-cyano-6-(quinolin-3-ylamino)-2-pyridinyl]amino]butanamide;2,6-dichloropyridine-3-carbonitrile;quinolin-3-amine;hydrochloride.
What is the SMILES notation for (2R)-2-aminobutanamide;6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-2-(quinolin-3-ylamino)pyridine-3-carboxamide;(2R)-2-[(6-chloro-3-cyano-2-pyridinyl)amino]butanamide;bis((2R)-2-[(6-chloro-5-cyano-2-pyridinyl)amino]butanamide);(2R)-2-[[5-cyano-6-(quinolin-3-ylamino)-2-pyridinyl]amino]butanamide;2,6-dichloropyridine-3-carbonitrile;quinolin-3-amine;hydrochloride?
The canonical SMILES for (2R)-2-aminobutanamide;6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-2-(quinolin-3-ylamino)pyridine-3-carboxamide;(2R)-2-[(6-chloro-3-cyano-2-pyridinyl)amino]butanamide;bis((2R)-2-[(6-chloro-5-cyano-2-pyridinyl)amino]butanamide);(2R)-2-[[5-cyano-6-(quinolin-3-ylamino)-2-pyridinyl]amino]butanamide;2,6-dichloropyridine-3-carbonitrile;quinolin-3-amine;hydrochloride is CC[C@@H](N)C(N)=O.CC[C@@H](Nc1ccc(C#N)c(Cl)n1)C(N)=O.CC[C@@H](Nc1ccc(C#N)c(Cl)n1)C(N)=O.CC[C@@H](Nc1ccc(C#N)c(Nc2cnc3ccccc3c2)n1)C(N)=O.CC[C@@H](Nc1ccc(C(N)=O)c(Nc2cnc3ccccc3c2)n1)C(N)=O.CC[C@@H](Nc1nc(Cl)ccc1C#N)C(N)=O.Cl.N#Cc1ccc(Cl)nc1Cl.Nc1cnc2ccccc2c1.
What is the InChIKey of (2R)-2-aminobutanamide;6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-2-(quinolin-3-ylamino)pyridine-3-carboxamide;(2R)-2-[(6-chloro-3-cyano-2-pyridinyl)amino]butanamide;bis((2R)-2-[(6-chloro-5-cyano-2-pyridinyl)amino]butanamide);(2R)-2-[[5-cyano-6-(quinolin-3-ylamino)-2-pyridinyl]amino]butanamide;2,6-dichloropyridine-3-carbonitrile;quinolin-3-amine;hydrochloride?
The InChIKey is HTKKLDKXKWVZOH-ABAJAMJMSA-N. The full InChI is InChI=1S/C19H20N6O2.C19H18N6O.3C10H11ClN4O.C9H8N2.C6H2Cl2N2.C4H10N2O.ClH/c1-2-14(18(21)27)24-16-8-7-13(17(20)26)19(25-16)23-12-9-11-5-3-4-6-15(11)22-10-12;1-2-15(18(21)26)24-17-8-7-13(10-20)19(25-17)23-14-9-12-5-3-4-6-16(12)22-11-14;1-2-7(9(13)16)14-10-6(5-12)3-4-8(11)15-10;2*1-2-7(10(13)16)14-8-4-3-6(5-12)9(11)15-8;10-8-5-7-3-1-2-4-9(7)11-6-8;7-5-2-1-4(3-9)6(8)10-5;1-2-3(5)4(6)7;/h3-10,14H,2H2,1H3,(H2,20,26)(H2,21,27)(H2,23,24,25);3-9,11,15H,2H2,1H3,(H2,21,26)(H2,23,24,25);3*3-4,7H,2H2,1H3,(H2,13,16)(H,14,15);1-6H,10H2;1-2H;3H,2,5H2,1H3,(H2,6,7);1H/t14-;15-;3*7-;;;3-;/m11111..1./s1.
What are the key properties of (2R)-2-aminobutanamide;6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-2-(quinolin-3-ylamino)pyridine-3-carboxamide;(2R)-2-[(6-chloro-3-cyano-2-pyridinyl)amino]butanamide;bis((2R)-2-[(6-chloro-5-cyano-2-pyridinyl)amino]butanamide);(2R)-2-[[5-cyano-6-(quinolin-3-ylamino)-2-pyridinyl]amino]butanamide;2,6-dichloropyridine-3-carbonitrile;quinolin-3-amine;hydrochloride?
(2R)-2-aminobutanamide;6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-2-(quinolin-3-ylamino)pyridine-3-carboxamide;(2R)-2-[(6-chloro-3-cyano-2-pyridinyl)amino]butanamide;bis((2R)-2-[(6-chloro-5-cyano-2-pyridinyl)amino]butanamide);(2R)-2-[[5-cyano-6-(quinolin-3-ylamino)-2-pyridinyl]amino]butanamide;2,6-dichloropyridine-3-carbonitrile;quinolin-3-amine;hydrochloride has a molecular weight of 1882.61 g/mol, XLogP of 12.62, 27 rotatable bonds, 16 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-aminobutanamide;6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-2-(quinolin-3-ylamino)pyridine-3-carboxamide;(2R)-2-[(6-chloro-3-cyano-2-pyridinyl)amino]butanamide;bis((2R)-2-[(6-chloro-5-cyano-2-pyridinyl)amino]butanamide);(2R)-2-[[5-cyano-6-(quinolin-3-ylamino)-2-pyridinyl]amino]butanamide;2,6-dichloropyridine-3-carbonitrile;quinolin-3-amine;hydrochloride is sourced from PubChem (CID 158620838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).