6-[[(2S)-2-aminopropyl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide;6-chloro-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;5-fluoro-6-(2-methylpropylamino)-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;5-fluoro-6-(2-methylpropylamino)-2-(quinolin-6-ylamino)pyridine-3-carboxamide

C71H65ClF4N20O2 — CID 158764933

IUPAC6-[[(2S)-2-aminopropyl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide;6-chloro-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;5-fluoro-6-(2-methylpropylamino)-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;5-fluoro-6-(2-methylpropylamino)-2-(quinolin-6-ylamino)pyridine-3-carboxamide
SMILESCC(C)CNc1nc(Nc2ccc3ncccc3c2)c(C#N)cc1F.CC(C)CNc1nc(Nc2ccc3ncccc3c2)c(C(N)=O)cc1F.C[C@H](N)CNc1nc(Nc2ccc3ncccc3c2)c(C(N)=O)cc1F.N#Cc1cc(F)c(Cl)nc1Nc1ccc2ncccc2c1
InChIInChI=1S/C19H20FN5O.C19H18FN5.C18H19FN6O.C15H8ClFN4/c1-11(2)10-23-19-15(20)9-14(17(21)26)18(25-19)24-13-5-6-16-12(8-13)4-3-7-22-16;1-12(2)11-23-19-16(20)9-14(10-21)18(25-19)24-15-5-6-17-13(8-15)4-3-7-22-17;1-10(20)9-23-18-14(19)8-13(16(21)26)17(25-18)24-12-4-5-15-11(7-12)3-2-6-22-15;16-14-12(17)7-10(8-18)15(21-14)20-11-3-4-13-9(6-11)2-1-5-19-13/h3-9,11H,10H2,1-2H3,(H2,21,26)(H2,23,24,25);3-9,12H,11H2,1-2H3,(H2,23,24,25);2-8,10H,9,20H2,1H3,(H2,21,26)(H2,23,24,25);1-7H,(H,20,21)/t;;10-;/m..0./s1
InChIKeyIPDDVEBVBPCYQB-LWNQXNJHSA-N
MW1341.88 g/mol
LogP14.54
Rot. Bonds19

About 6-[[(2S)-2-aminopropyl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide;6-chloro-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;5-fluoro-6-(2-methylpropylamino)-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;5-fluoro-6-(2-methylpropylamino)-2-(quinolin-6-ylamino)pyridine-3-carboxamide

6-[[(2S)-2-aminopropyl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide;6-chloro-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;5-fluoro-6-(2-methylpropylamino)-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;5-fluoro-6-(2-methylpropylamino)-2-(quinolin-6-ylamino)pyridine-3-carboxamide (PubChem CID 158764933) has the molecular formula C71H65ClF4N20O2 and a molecular weight of 1341.88 g/mol. Its IUPAC name is 6-[[(2S)-2-aminopropyl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide;6-chloro-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;5-fluoro-6-(2-methylpropylamino)-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;5-fluoro-6-(2-methylpropylamino)-2-(quinolin-6-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(2S)-2-aminopropyl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide;6-chloro-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;5-fluoro-6-(2-methylpropylamino)-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;5-fluoro-6-(2-methylpropylamino)-2-(quinolin-6-ylamino)pyridine-3-carboxamide
PubChem CID158764933
Molecular FormulaC71H65ClF4N20O2
Molecular Weight1341.88 g/mol
Exact Mass1340.52
IUPAC Name6-[[(2S)-2-aminopropyl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide;6-chloro-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;5-fluoro-6-(2-methylpropylamino)-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;5-fluoro-6-(2-methylpropylamino)-2-(quinolin-6-ylamino)pyridine-3-carboxamide
SMILESCC(C)CNc1nc(Nc2ccc3ncccc3c2)c(C#N)cc1F.CC(C)CNc1nc(Nc2ccc3ncccc3c2)c(C(N)=O)cc1F.C[C@H](N)CNc1nc(Nc2ccc3ncccc3c2)c(C(N)=O)cc1F.N#Cc1cc(F)c(Cl)nc1Nc1ccc2ncccc2c1
InChIInChI=1S/C19H20FN5O.C19H18FN5.C18H19FN6O.C15H8ClFN4/c1-11(2)10-23-19-15(20)9-14(17(21)26)18(25-19)24-13-5-6-16-12(8-13)4-3-7-22-16;1-12(2)11-23-19-16(20)9-14(10-21)18(25-19)24-15-5-6-17-13(8-15)4-3-7-22-17;1-10(20)9-23-18-14(19)8-13(16(21)26)17(25-18)24-12-4-5-15-11(7-12)3-2-6-22-15;16-14-12(17)7-10(8-18)15(21-14)20-11-3-4-13-9(6-11)2-1-5-19-13/h3-9,11H,10H2,1-2H3,(H2,21,26)(H2,23,24,25);3-9,12H,11H2,1-2H3,(H2,23,24,25);2-8,10H,9,20H2,1H3,(H2,21,26)(H2,23,24,25);1-7H,(H,20,21)/t;;10-;/m..0./s1
InChIKeyIPDDVEBVBPCYQB-LWNQXNJHSA-N
XLogP14.54
TPSA347.11 Ų
H-Bond Donors10
H-Bond Acceptors20
Rotatable Bonds19
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001341.88
LogP ≤ 514.54
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 6-[[(2S)-2-aminopropyl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide;6-chloro-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;5-fluoro-6-(2-methylpropylamino)-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;5-fluoro-6-(2-methylpropylamino)-2-(quinolin-6-ylamino)pyridine-3-carboxamide with MolForge

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Related Compounds

2-chloro-N-[4-methyl-2-(4-methylpiperazino)-6-quinolyl]nicotinamide
CID 9550657
2-chloro-N~3~-[2-(4-ethylpiperazino)-4-methyl-6-quinolyl]nicotinamide
CID 9551182
6-chloro-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]pyridine-3-carboxamide
CID 87909190
6-chloro-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]pyridine-3-carboxamide
CID 15994147
6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide
CID 57334633
5-fluoro-6-[[(3S)-piperidin-3-yl]amino]-2-(quinolin-6-ylamino)pyridine-3-carboxamide
CID 67510750
5-Fluoro-6-(piperidin-3-ylamino)-2-(quinolin-6-ylamino)pyridine-3-carboxamide
CID 67510752
6-[(1-Amino-3-methyl-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide
CID 67775657
6-((2R)-1-amino-4-methyl-1-oxopentan-2-ylamino)-5-fluoro-2-(quinolin-6-ylamino)nicotinamide
CID 67776850
6-[(1-Amino-4-methyl-1-oxopentan-2-yl)amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide
CID 67776855
6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide
CID 69284537
6-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide
CID 69285011

Frequently Asked Questions

What is the IUPAC name of 6-[[(2S)-2-aminopropyl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide;6-chloro-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;5-fluoro-6-(2-methylpropylamino)-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;5-fluoro-6-(2-methylpropylamino)-2-(quinolin-6-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-[[(2S)-2-aminopropyl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide;6-chloro-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;5-fluoro-6-(2-methylpropylamino)-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;5-fluoro-6-(2-methylpropylamino)-2-(quinolin-6-ylamino)pyridine-3-carboxamide (CID 158764933) is 6-[[(2S)-2-aminopropyl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide;6-chloro-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;5-fluoro-6-(2-methylpropylamino)-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;5-fluoro-6-(2-methylpropylamino)-2-(quinolin-6-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[(2S)-2-aminopropyl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide;6-chloro-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;5-fluoro-6-(2-methylpropylamino)-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;5-fluoro-6-(2-methylpropylamino)-2-(quinolin-6-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-[[(2S)-2-aminopropyl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide;6-chloro-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;5-fluoro-6-(2-methylpropylamino)-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;5-fluoro-6-(2-methylpropylamino)-2-(quinolin-6-ylamino)pyridine-3-carboxamide is CC(C)CNc1nc(Nc2ccc3ncccc3c2)c(C#N)cc1F.CC(C)CNc1nc(Nc2ccc3ncccc3c2)c(C(N)=O)cc1F.C[C@H](N)CNc1nc(Nc2ccc3ncccc3c2)c(C(N)=O)cc1F.N#Cc1cc(F)c(Cl)nc1Nc1ccc2ncccc2c1.
What is the InChIKey of 6-[[(2S)-2-aminopropyl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide;6-chloro-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;5-fluoro-6-(2-methylpropylamino)-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;5-fluoro-6-(2-methylpropylamino)-2-(quinolin-6-ylamino)pyridine-3-carboxamide?
The InChIKey is IPDDVEBVBPCYQB-LWNQXNJHSA-N. The full InChI is InChI=1S/C19H20FN5O.C19H18FN5.C18H19FN6O.C15H8ClFN4/c1-11(2)10-23-19-15(20)9-14(17(21)26)18(25-19)24-13-5-6-16-12(8-13)4-3-7-22-16;1-12(2)11-23-19-16(20)9-14(10-21)18(25-19)24-15-5-6-17-13(8-15)4-3-7-22-17;1-10(20)9-23-18-14(19)8-13(16(21)26)17(25-18)24-12-4-5-15-11(7-12)3-2-6-22-15;16-14-12(17)7-10(8-18)15(21-14)20-11-3-4-13-9(6-11)2-1-5-19-13/h3-9,11H,10H2,1-2H3,(H2,21,26)(H2,23,24,25);3-9,12H,11H2,1-2H3,(H2,23,24,25);2-8,10H,9,20H2,1H3,(H2,21,26)(H2,23,24,25);1-7H,(H,20,21)/t;;10-;/m..0./s1.
What are the key properties of 6-[[(2S)-2-aminopropyl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide;6-chloro-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;5-fluoro-6-(2-methylpropylamino)-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;5-fluoro-6-(2-methylpropylamino)-2-(quinolin-6-ylamino)pyridine-3-carboxamide?
6-[[(2S)-2-aminopropyl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide;6-chloro-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;5-fluoro-6-(2-methylpropylamino)-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;5-fluoro-6-(2-methylpropylamino)-2-(quinolin-6-ylamino)pyridine-3-carboxamide has a molecular weight of 1341.88 g/mol, XLogP of 14.54, 19 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S)-2-aminopropyl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide;6-chloro-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;5-fluoro-6-(2-methylpropylamino)-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;5-fluoro-6-(2-methylpropylamino)-2-(quinolin-6-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 158764933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).