N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyridine-4-carboxamide

C22H17ClN4O — CID 109177701

IUPACN-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(Nc3cccc4cccnc34)c2)cc1Cl
InChIInChI=1S/C22H17ClN4O/c1-14-7-8-17(13-18(14)23)26-22(28)16-9-11-24-20(12-16)27-19-6-2-4-15-5-3-10-25-21(15)19/h2-13H,1H3,(H,24,27)(H,26,28)
InChIKeyRISAKXJKFODHRG-UHFFFAOYSA-N
MW388.86 g/mol
LogP5.59
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyridine-4-carboxamide

N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyridine-4-carboxamide (PubChem CID 109177701) has the molecular formula C22H17ClN4O and a molecular weight of 388.86 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyridine-4-carboxamide
PubChem CID109177701
Molecular FormulaC22H17ClN4O
Molecular Weight388.86 g/mol
Exact Mass388.11
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(Nc3cccc4cccnc34)c2)cc1Cl
InChIInChI=1S/C22H17ClN4O/c1-14-7-8-17(13-18(14)23)26-22(28)16-9-11-24-20(12-16)27-19-6-2-4-15-5-3-10-25-21(15)19/h2-13H,1H3,(H,24,27)(H,26,28)
InChIKeyRISAKXJKFODHRG-UHFFFAOYSA-N
XLogP5.59
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.86
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109269168
N-(3-chloro-4-methylphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109128991
2-(2-methylanilino)-N-quinolin-8-ylpyridine-4-carboxamide
CID 109176218
N-(3-chloro-4-methylphenyl)-2-(3-fluoroanilino)pyridine-4-carboxamide
CID 109177698
2-(4-methoxyanilino)-N-quinolin-8-ylpyridine-4-carboxamide
CID 109178089
5-(3-chloro-4-methylanilino)-N-quinolin-8-ylpyrazine-2-carboxamide
CID 109293181
N-(3,4-dimethylphenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109242937
2-N-(3-methylphenyl)-4-N-quinolin-8-ylpyridine-2,4-dicarboxamide
CID 109091249
N-(3-chloro-4-methylphenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide
CID 109170167
2-hydrazinyl-N-quinolin-8-ylpyridine-4-carboxamide
CID 62235936
1-[4-[2-(quinolin-8-ylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169103
N-(2-phenylethyl)-2-(quinolin-8-ylamino)pyridine-4-carboxamide
CID 109172233

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyridine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyridine-4-carboxamide (CID 109177701) is N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(Nc3cccc4cccnc34)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyridine-4-carboxamide?
The InChIKey is RISAKXJKFODHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O/c1-14-7-8-17(13-18(14)23)26-22(28)16-9-11-24-20(12-16)27-19-6-2-4-15-5-3-10-25-21(15)19/h2-13H,1H3,(H,24,27)(H,26,28).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyridine-4-carboxamide?
N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyridine-4-carboxamide has a molecular weight of 388.86 g/mol, XLogP of 5.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109177701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).