N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]pyridine-3-carboxamide

C20H19N3O — CID 56791178

IUPACN-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]pyridine-3-carboxamide
SMILESCc1ccc(CC(NC(=O)c2cccnc2)c2ccccn2)cc1
InChIInChI=1S/C20H19N3O/c1-15-7-9-16(10-8-15)13-19(18-6-2-3-12-22-18)23-20(24)17-5-4-11-21-14-17/h2-12,14,19H,13H2,1H3,(H,23,24)
InChIKeyAJKIWKMCTKKBMA-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.50
Rot. Bonds5

About N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]pyridine-3-carboxamide

N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]pyridine-3-carboxamide (PubChem CID 56791178) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]pyridine-3-carboxamide
PubChem CID56791178
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC NameN-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]pyridine-3-carboxamide
SMILESCc1ccc(CC(NC(=O)c2cccnc2)c2ccccn2)cc1
InChIInChI=1S/C20H19N3O/c1-15-7-9-16(10-8-15)13-19(18-6-2-3-12-22-18)23-20(24)17-5-4-11-21-14-17/h2-12,14,19H,13H2,1H3,(H,23,24)
InChIKeyAJKIWKMCTKKBMA-UHFFFAOYSA-N
XLogP3.50
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide
CID 96550906
N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 96550885
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]butanamide
CID 56791179
2-chloro-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]acetamide;hydrochloride
CID 154856536
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-(triazol-1-yl)benzamide
CID 166187725
N'-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-N-(1-methylpyrazol-4-yl)oxamide
CID 96539654
N-[(4-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 51151137
N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 4126174
N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-pyrazol-1-ylbutanamide
CID 96550907
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-phenylmethoxybutanamide
CID 86956430
N-[(2R)-1-(4-bromophenyl)propan-2-yl]pyridine-3-carboxamide
CID 51948817
N-[(1S)-1-(2,4-dimethylphenyl)propyl]pyridine-3-carboxamide
CID 100629953

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]pyridine-3-carboxamide (CID 56791178) is N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]pyridine-3-carboxamide is Cc1ccc(CC(NC(=O)c2cccnc2)c2ccccn2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]pyridine-3-carboxamide?
The InChIKey is AJKIWKMCTKKBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-15-7-9-16(10-8-15)13-19(18-6-2-3-12-22-18)23-20(24)17-5-4-11-21-14-17/h2-12,14,19H,13H2,1H3,(H,23,24).
What are the key properties of N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]pyridine-3-carboxamide?
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]pyridine-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]pyridine-3-carboxamide is sourced from PubChem (CID 56791178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).