N-(3,4-dimethylphenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide

C23H20N4O — CID 109242937

IUPACN-(3,4-dimethylphenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(Nc3cccc4cccnc34)c2)cc1C
InChIInChI=1S/C23H20N4O/c1-15-8-9-19(11-16(15)2)27-23(28)18-12-20(14-24-13-18)26-21-7-3-5-17-6-4-10-25-22(17)21/h3-14,26H,1-2H3,(H,27,28)
InChIKeyMCABOLHTXZMLKQ-UHFFFAOYSA-N
MW368.44 g/mol
LogP5.24
Rot. Bonds4

About N-(3,4-dimethylphenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide

N-(3,4-dimethylphenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide (PubChem CID 109242937) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
PubChem CID109242937
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC NameN-(3,4-dimethylphenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(Nc3cccc4cccnc34)c2)cc1C
InChIInChI=1S/C23H20N4O/c1-15-8-9-19(11-16(15)2)27-23(28)18-12-20(14-24-13-18)26-21-7-3-5-17-6-4-10-25-22(17)21/h3-14,26H,1-2H3,(H,27,28)
InChIKeyMCABOLHTXZMLKQ-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

3-N-(3,4-dimethylphenyl)-5-N-quinolin-8-ylpyridine-3,5-dicarboxamide
CID 109108326
N-(3-cyanophenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109246222
N-(2-ethylphenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109243373
5-(4-acetamidoanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109245897
N-tert-butyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109239349
5-(quinolin-8-ylamino)pyridine-3-carboxylic acid
CID 82535032
5-(3,4-dimethylanilino)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242892
N-(3,4-dimethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109242899
5-(2-tert-butylanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109244039
N-[4-(quinolin-8-ylamino)phenyl]pyridine-3-carboxamide
CID 112989314
N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109269168
N-(3,4-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242104

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide (CID 109242937) is N-(3,4-dimethylphenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cncc(Nc3cccc4cccnc34)c2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide?
The InChIKey is MCABOLHTXZMLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-15-8-9-19(11-16(15)2)27-23(28)18-12-20(14-24-13-18)26-21-7-3-5-17-6-4-10-25-22(17)21/h3-14,26H,1-2H3,(H,27,28).
What are the key properties of N-(3,4-dimethylphenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide?
N-(3,4-dimethylphenyl)-5-(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-(3,4-dimethylphenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109242937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).