2-(2-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide

C21H21N3O — CID 1440949

IUPAC2-(2-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESCc1ccccc1Nc1ncccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C21H21N3O/c1-16-8-5-6-12-19(16)24-20-18(11-7-14-22-20)21(25)23-15-13-17-9-3-2-4-10-17/h2-12,14H,13,15H2,1H3,(H,22,24)(H,23,25)
InChIKeyWMKQNGKBWLKJIC-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.11
Rot. Bonds6

About 2-(2-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide

2-(2-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide (PubChem CID 1440949) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-(2-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
PubChem CID1440949
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name2-(2-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESCc1ccccc1Nc1ncccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C21H21N3O/c1-16-8-5-6-12-19(16)24-20-18(11-7-14-22-20)21(25)23-15-13-17-9-3-2-4-10-17/h2-12,14H,13,15H2,1H3,(H,22,24)(H,23,25)
InChIKeyWMKQNGKBWLKJIC-UHFFFAOYSA-N
XLogP4.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylethyl)-2-(propylamino)pyridine-3-carboxamide
CID 62167056
2-(2-methylanilino)-N-phenylpyridine-3-carboxamide
CID 23632378
2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 23632578
2,3-dimethyl-N-(2-phenylethyl)benzamide
CID 7732731
2-hydrazinyl-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 62237813
2-(methylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 62180569
2-(2-methoxyanilino)-N-propylpyridine-3-carboxamide
CID 32736796
N-benzyl-2-(2-methylanilino)benzamide
CID 23737672
N-(2-amino-2-methylpropyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
CID 119625766
2,3,4-trimethyl-N-(2-phenylethyl)benzamide
CID 84533517
N-(2-phenylethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 3417086
N-(2-bromophenyl)-2-(2-phenylethylamino)pyridine-3-carboxamide
CID 23632786

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(2-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide (CID 1440949) is 2-(2-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(2-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide is Cc1ccccc1Nc1ncccc1C(=O)NCCc1ccccc1.
What is the InChIKey of 2-(2-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is WMKQNGKBWLKJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-16-8-5-6-12-19(16)24-20-18(11-7-14-22-20)21(25)23-15-13-17-9-3-2-4-10-17/h2-12,14H,13,15H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 2-(2-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide?
2-(2-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 1440949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).