N-(2-anilino-2-oxoethyl)-5-(3-methylphenyl)pyridine-3-carboxamide

C21H19N3O2 — CID 136516074

IUPACN-(2-anilino-2-oxoethyl)-5-(3-methylphenyl)pyridine-3-carboxamide
SMILESCc1cccc(-c2cncc(C(=O)NCC(=O)Nc3ccccc3)c2)c1
InChIInChI=1S/C21H19N3O2/c1-15-6-5-7-16(10-15)17-11-18(13-22-12-17)21(26)23-14-20(25)24-19-8-3-2-4-9-19/h2-13H,14H2,1H3,(H,23,26)(H,24,25)
InChIKeyVKBFIIBTULIDFP-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.43
Rot. Bonds5

About N-(2-anilino-2-oxoethyl)-5-(3-methylphenyl)pyridine-3-carboxamide

N-(2-anilino-2-oxoethyl)-5-(3-methylphenyl)pyridine-3-carboxamide (PubChem CID 136516074) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-5-(3-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-5-(3-methylphenyl)pyridine-3-carboxamide
PubChem CID136516074
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-(2-anilino-2-oxoethyl)-5-(3-methylphenyl)pyridine-3-carboxamide
SMILESCc1cccc(-c2cncc(C(=O)NCC(=O)Nc3ccccc3)c2)c1
InChIInChI=1S/C21H19N3O2/c1-15-6-5-7-16(10-15)17-11-18(13-22-12-17)21(26)23-14-20(25)24-19-8-3-2-4-9-19/h2-13H,14H2,1H3,(H,23,26)(H,24,25)
InChIKeyVKBFIIBTULIDFP-UHFFFAOYSA-N
XLogP3.43
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 2968363
N,5-diphenylpyridine-3-carboxamide
CID 110683714
5-(3-methylphenyl)-N-methylsulfonylpyridine-3-carboxamide
CID 146154732
N-(2-anilino-2-oxoethyl)-4-methylbenzamide
CID 4010991
3,5-dimethyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 26537864
2-[cyclopropyl-[5-(3-methylphenyl)pyridine-3-carbonyl]amino]acetic acid
CID 120517497
5-N-(3-methylphenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106204
N-(1,3-dihydro-2-benzofuran-5-yl)-5-(3-methylphenyl)pyridine-3-carboxamide
CID 97134347
N-(2-methylpropyl)-5-phenylpyridine-3-carboxamide
CID 42845323
N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-methylbenzamide
CID 26584037
5-[3-(ethylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 53224075
N-[2-(4-methylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705464

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-5-(3-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-5-(3-methylphenyl)pyridine-3-carboxamide (CID 136516074) is N-(2-anilino-2-oxoethyl)-5-(3-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-5-(3-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-5-(3-methylphenyl)pyridine-3-carboxamide is Cc1cccc(-c2cncc(C(=O)NCC(=O)Nc3ccccc3)c2)c1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-5-(3-methylphenyl)pyridine-3-carboxamide?
The InChIKey is VKBFIIBTULIDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-15-6-5-7-16(10-15)17-11-18(13-22-12-17)21(26)23-14-20(25)24-19-8-3-2-4-9-19/h2-13H,14H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-(2-anilino-2-oxoethyl)-5-(3-methylphenyl)pyridine-3-carboxamide?
N-(2-anilino-2-oxoethyl)-5-(3-methylphenyl)pyridine-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-5-(3-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 136516074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).