1-(4-methylcyclohexyl)-2-oxo-N-(2-phenylethyl)pyridine-3-carboxamide

C21H26N2O2 — CID 141088853

IUPAC1-(4-methylcyclohexyl)-2-oxo-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESCC1CCC(n2cccc(C(=O)NCCc3ccccc3)c2=O)CC1
InChIInChI=1S/C21H26N2O2/c1-16-9-11-18(12-10-16)23-15-5-8-19(21(23)25)20(24)22-14-13-17-6-3-2-4-7-17/h2-8,15-16,18H,9-14H2,1H3,(H,22,24)
InChIKeyZVXVFZQJPRBHLB-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.57
Rot. Bonds5

About 1-(4-methylcyclohexyl)-2-oxo-N-(2-phenylethyl)pyridine-3-carboxamide

1-(4-methylcyclohexyl)-2-oxo-N-(2-phenylethyl)pyridine-3-carboxamide (PubChem CID 141088853) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-2-oxo-N-(2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-2-oxo-N-(2-phenylethyl)pyridine-3-carboxamide
PubChem CID141088853
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-(4-methylcyclohexyl)-2-oxo-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESCC1CCC(n2cccc(C(=O)NCCc3ccccc3)c2=O)CC1
InChIInChI=1S/C21H26N2O2/c1-16-9-11-18(12-10-16)23-15-5-8-19(21(23)25)20(24)22-14-13-17-6-3-2-4-7-17/h2-8,15-16,18H,9-14H2,1H3,(H,22,24)
InChIKeyZVXVFZQJPRBHLB-UHFFFAOYSA-N
XLogP3.57
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109250857
4-amino-1-cyclopropyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 43642172
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(2-phenylethyl)benzamide
CID 24817982
6-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109113164
2-[(3S)-3-methylpiperidin-1-yl]-5-oxo-N-(2-phenylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 92724296
methyl 2-(2-phenylethylcarbamoyl)benzoate
CID 23935800
N-[4-(4-methylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 4621165
7-methyl-2-(4-methylcyclohexyl)-N-[2-(3-methylphenyl)ethyl]-1,3-dioxobenzo[de]isoquinoline-6-carboxamide
CID 58526853
2-benzylsulfonyl-N-(2-phenylethyl)benzamide
CID 5297896
2,3-dihydroxy-N-(2-phenylethyl)benzamide
CID 22895318
1-N,4-N-bis[2-(2-phenylethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 4930342
6-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109342168

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-2-oxo-N-(2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 1-(4-methylcyclohexyl)-2-oxo-N-(2-phenylethyl)pyridine-3-carboxamide (CID 141088853) is 1-(4-methylcyclohexyl)-2-oxo-N-(2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-(4-methylcyclohexyl)-2-oxo-N-(2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 1-(4-methylcyclohexyl)-2-oxo-N-(2-phenylethyl)pyridine-3-carboxamide is CC1CCC(n2cccc(C(=O)NCCc3ccccc3)c2=O)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-2-oxo-N-(2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is ZVXVFZQJPRBHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16-9-11-18(12-10-16)23-15-5-8-19(21(23)25)20(24)22-14-13-17-6-3-2-4-7-17/h2-8,15-16,18H,9-14H2,1H3,(H,22,24).
What are the key properties of 1-(4-methylcyclohexyl)-2-oxo-N-(2-phenylethyl)pyridine-3-carboxamide?
1-(4-methylcyclohexyl)-2-oxo-N-(2-phenylethyl)pyridine-3-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-2-oxo-N-(2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 141088853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).