N-[(4-methylphenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide

C23H20N4O — CID 109210497

IUPACN-[(4-methylphenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(Nc3cccc4cccnc34)ccn2)cc1
InChIInChI=1S/C23H20N4O/c1-16-7-9-17(10-8-16)15-26-23(28)21-14-19(11-13-24-21)27-20-6-2-4-18-5-3-12-25-22(18)20/h2-14H,15H2,1H3,(H,24,27)(H,26,28)
InChIKeyKAGGPXDOKLCXJI-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.61
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide

N-[(4-methylphenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide (PubChem CID 109210497) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide
PubChem CID109210497
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC NameN-[(4-methylphenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(Nc3cccc4cccnc34)ccn2)cc1
InChIInChI=1S/C23H20N4O/c1-16-7-9-17(10-8-16)15-26-23(28)21-14-19(11-13-24-21)27-20-6-2-4-18-5-3-12-25-22(18)20/h2-14H,15H2,1H3,(H,24,27)(H,26,28)
InChIKeyKAGGPXDOKLCXJI-UHFFFAOYSA-N
XLogP4.61
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109211474
N-prop-2-enyl-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109202242
4-(3-acetamidoanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210484
N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109201456
N-[(3-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109304422
4-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212181
N-benzyl-N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109217230
4-(3-chloro-2-methylanilino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109221140
N-benzyl-4-(3,5-dimethylanilino)pyridine-2-carboxamide
CID 109209680
4-(2-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212198
4-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109212998
4-N-benzyl-2-N-quinolin-8-ylpyridine-2,4-dicarboxamide
CID 109085380

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide (CID 109210497) is N-[(4-methylphenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide is Cc1ccc(CNC(=O)c2cc(Nc3cccc4cccnc34)ccn2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide?
The InChIKey is KAGGPXDOKLCXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-16-7-9-17(10-8-16)15-26-23(28)21-14-19(11-13-24-21)27-20-6-2-4-18-5-3-12-25-22(18)20/h2-14H,15H2,1H3,(H,24,27)(H,26,28).
What are the key properties of N-[(4-methylphenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide?
N-[(4-methylphenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109210497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).