N-[1-(4-methoxyphenyl)-2-oxo-2-pyridin-4-ylethyl]cyclohexanecarboxamide

C21H24N2O3 — CID 102018874

IUPACN-[1-(4-methoxyphenyl)-2-oxo-2-pyridin-4-ylethyl]cyclohexanecarboxamide
SMILESCOc1ccc(C(NC(=O)C2CCCCC2)C(=O)c2ccncc2)cc1
InChIInChI=1S/C21H24N2O3/c1-26-18-9-7-15(8-10-18)19(20(24)16-11-13-22-14-12-16)23-21(25)17-5-3-2-4-6-17/h7-14,17,19H,2-6H2,1H3,(H,23,25)
InChIKeySIRGYLZMLWVURT-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.71
Rot. Bonds6

About N-[1-(4-methoxyphenyl)-2-oxo-2-pyridin-4-ylethyl]cyclohexanecarboxamide

N-[1-(4-methoxyphenyl)-2-oxo-2-pyridin-4-ylethyl]cyclohexanecarboxamide (PubChem CID 102018874) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-2-oxo-2-pyridin-4-ylethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-2-oxo-2-pyridin-4-ylethyl]cyclohexanecarboxamide
PubChem CID102018874
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[1-(4-methoxyphenyl)-2-oxo-2-pyridin-4-ylethyl]cyclohexanecarboxamide
SMILESCOc1ccc(C(NC(=O)C2CCCCC2)C(=O)c2ccncc2)cc1
InChIInChI=1S/C21H24N2O3/c1-26-18-9-7-15(8-10-18)19(20(24)16-11-13-22-14-12-16)23-21(25)17-5-3-2-4-6-17/h7-14,17,19H,2-6H2,1H3,(H,23,25)
InChIKeySIRGYLZMLWVURT-UHFFFAOYSA-N
XLogP3.71
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxyphenyl)propyl]cyclohexanecarboxamide
CID 18115473
2-bromo-2-(4-methoxyphenyl)-1-pyridin-4-ylethanone;hydrobromide
CID 18510988
N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
CID 7449585
2-(cyclohexylamino)-2-(4-methoxyphenyl)acetic acid
CID 54892880
N-[1-(4-fluorophenyl)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]cyclohexanecarboxamide
CID 22261959
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 17447079
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 46528505
N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097080
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide
CID 91635790
(3S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-methylpiperidine-3-carboxamide
CID 99970387
N'-(cyclohexanecarbonyl)pyridine-4-carbohydrazide
CID 782647
N-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide
CID 112987504

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-2-oxo-2-pyridin-4-ylethyl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-2-oxo-2-pyridin-4-ylethyl]cyclohexanecarboxamide (CID 102018874) is N-[1-(4-methoxyphenyl)-2-oxo-2-pyridin-4-ylethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-2-oxo-2-pyridin-4-ylethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-2-oxo-2-pyridin-4-ylethyl]cyclohexanecarboxamide is COc1ccc(C(NC(=O)C2CCCCC2)C(=O)c2ccncc2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-2-oxo-2-pyridin-4-ylethyl]cyclohexanecarboxamide?
The InChIKey is SIRGYLZMLWVURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-26-18-9-7-15(8-10-18)19(20(24)16-11-13-22-14-12-16)23-21(25)17-5-3-2-4-6-17/h7-14,17,19H,2-6H2,1H3,(H,23,25).
What are the key properties of N-[1-(4-methoxyphenyl)-2-oxo-2-pyridin-4-ylethyl]cyclohexanecarboxamide?
N-[1-(4-methoxyphenyl)-2-oxo-2-pyridin-4-ylethyl]cyclohexanecarboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-2-oxo-2-pyridin-4-ylethyl]cyclohexanecarboxamide is sourced from PubChem (CID 102018874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).