N-(2,5-dimethylphenyl)-6-(quinolin-8-ylamino)pyridine-3-carboxamide

C23H20N4O — CID 109162626

IUPACN-(2,5-dimethylphenyl)-6-(quinolin-8-ylamino)pyridine-3-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2ccc(Nc3cccc4cccnc34)nc2)c1
InChIInChI=1S/C23H20N4O/c1-15-8-9-16(2)20(13-15)27-23(28)18-10-11-21(25-14-18)26-19-7-3-5-17-6-4-12-24-22(17)19/h3-14H,1-2H3,(H,25,26)(H,27,28)
InChIKeyWARPRITYTUHBOK-UHFFFAOYSA-N
MW368.44 g/mol
LogP5.24
Rot. Bonds4

About N-(2,5-dimethylphenyl)-6-(quinolin-8-ylamino)pyridine-3-carboxamide

N-(2,5-dimethylphenyl)-6-(quinolin-8-ylamino)pyridine-3-carboxamide (PubChem CID 109162626) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-6-(quinolin-8-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-6-(quinolin-8-ylamino)pyridine-3-carboxamide
PubChem CID109162626
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC NameN-(2,5-dimethylphenyl)-6-(quinolin-8-ylamino)pyridine-3-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2ccc(Nc3cccc4cccnc34)nc2)c1
InChIInChI=1S/C23H20N4O/c1-15-8-9-16(2)20(13-15)27-23(28)18-10-11-21(25-14-18)26-19-7-3-5-17-6-4-12-24-22(17)19/h3-14H,1-2H3,(H,25,26)(H,27,28)
InChIKeyWARPRITYTUHBOK-UHFFFAOYSA-N
XLogP5.24
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109266661
6-(2-fluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109163204
1-(2,5-dimethylphenyl)-3-quinolin-8-ylurea
CID 48742637
6-(quinolin-8-ylamino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109164848
6-(3-acetylanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109164464
6-(2,4-difluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109164851
2-(2-methylanilino)-N-quinolin-8-ylpyridine-4-carboxamide
CID 109176218
4-chloro-N-[6-(quinolin-8-ylamino)-3-pyridinyl]benzamide
CID 113021752
2-(3-methylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109265647
6-(4-propan-2-yloxyanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109164287
2-(2,5-dimethylanilino)-N-quinolin-8-ylacetamide
CID 109007395
2-(3-methylphenyl)-N-[6-(quinolin-8-ylamino)-3-pyridinyl]acetamide
CID 113021762

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-6-(quinolin-8-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-6-(quinolin-8-ylamino)pyridine-3-carboxamide (CID 109162626) is N-(2,5-dimethylphenyl)-6-(quinolin-8-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-6-(quinolin-8-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-6-(quinolin-8-ylamino)pyridine-3-carboxamide is Cc1ccc(C)c(NC(=O)c2ccc(Nc3cccc4cccnc34)nc2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-6-(quinolin-8-ylamino)pyridine-3-carboxamide?
The InChIKey is WARPRITYTUHBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-15-8-9-16(2)20(13-15)27-23(28)18-10-11-21(25-14-18)26-19-7-3-5-17-6-4-12-24-22(17)19/h3-14H,1-2H3,(H,25,26)(H,27,28).
What are the key properties of N-(2,5-dimethylphenyl)-6-(quinolin-8-ylamino)pyridine-3-carboxamide?
N-(2,5-dimethylphenyl)-6-(quinolin-8-ylamino)pyridine-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 5.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-6-(quinolin-8-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109162626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).