3-(azocane-1-carbonyl)-1-(2-methoxyphenyl)-4-methylpyridin-2-one

C21H26N2O3 — CID 172663458

IUPAC3-(azocane-1-carbonyl)-1-(2-methoxyphenyl)-4-methylpyridin-2-one
SMILESCOc1ccccc1-n1ccc(C)c(C(=O)N2CCCCCCC2)c1=O
InChIInChI=1S/C21H26N2O3/c1-16-12-15-23(17-10-6-7-11-18(17)26-2)21(25)19(16)20(24)22-13-8-4-3-5-9-14-22/h6-7,10-12,15H,3-5,8-9,13-14H2,1-2H3
InChIKeyFYCLFUKSDBUAMZ-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.56
Rot. Bonds3

About 3-(azocane-1-carbonyl)-1-(2-methoxyphenyl)-4-methylpyridin-2-one

3-(azocane-1-carbonyl)-1-(2-methoxyphenyl)-4-methylpyridin-2-one (PubChem CID 172663458) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-(azocane-1-carbonyl)-1-(2-methoxyphenyl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name3-(azocane-1-carbonyl)-1-(2-methoxyphenyl)-4-methylpyridin-2-one
PubChem CID172663458
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name3-(azocane-1-carbonyl)-1-(2-methoxyphenyl)-4-methylpyridin-2-one
SMILESCOc1ccccc1-n1ccc(C)c(C(=O)N2CCCCCCC2)c1=O
InChIInChI=1S/C21H26N2O3/c1-16-12-15-23(17-10-6-7-11-18(17)26-2)21(25)19(16)20(24)22-13-8-4-3-5-9-14-22/h6-7,10-12,15H,3-5,8-9,13-14H2,1-2H3
InChIKeyFYCLFUKSDBUAMZ-UHFFFAOYSA-N
XLogP3.56
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonyl]azetidine-3-carboxylate
CID 172656047
1-(2-methoxyphenyl)-4-methyl-3-[3-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]pyridin-2-one
CID 172660066
3-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazine-1-carbonyl]-1-(2-methoxyphenyl)-4-methylpyridin-2-one
CID 172671190
1-(2-methoxyphenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-2-oxopyridine-3-carboxamide
CID 172658075
3-(2-methoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one
CID 39352426
N-[2-(2-hydroxyethyl)phenyl]-1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172672235
N-(3-acetamido-4-fluorophenyl)-1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 175645549
1-[1-(dimethylamino)propan-2-yl]-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methylpyridin-2-one;formic acid
CID 172911074
1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 82117382
N-[(3-chloro-2-pyridinyl)methyl]-1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172666735
1-(2-methoxyphenyl)-4-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-2-oxopyridine-3-carboxamide;hydrochloride
CID 172911869
1-(3-methoxy-4-pyrrolidin-1-ylphenyl)-4-methyl-2-oxopyridine-3-carboxylic acid
CID 170503166

Frequently Asked Questions

What is the IUPAC name of 3-(azocane-1-carbonyl)-1-(2-methoxyphenyl)-4-methylpyridin-2-one?
The IUPAC name of 3-(azocane-1-carbonyl)-1-(2-methoxyphenyl)-4-methylpyridin-2-one (CID 172663458) is 3-(azocane-1-carbonyl)-1-(2-methoxyphenyl)-4-methylpyridin-2-one.
What is the SMILES notation for 3-(azocane-1-carbonyl)-1-(2-methoxyphenyl)-4-methylpyridin-2-one?
The canonical SMILES for 3-(azocane-1-carbonyl)-1-(2-methoxyphenyl)-4-methylpyridin-2-one is COc1ccccc1-n1ccc(C)c(C(=O)N2CCCCCCC2)c1=O.
What is the InChIKey of 3-(azocane-1-carbonyl)-1-(2-methoxyphenyl)-4-methylpyridin-2-one?
The InChIKey is FYCLFUKSDBUAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-16-12-15-23(17-10-6-7-11-18(17)26-2)21(25)19(16)20(24)22-13-8-4-3-5-9-14-22/h6-7,10-12,15H,3-5,8-9,13-14H2,1-2H3.
What are the key properties of 3-(azocane-1-carbonyl)-1-(2-methoxyphenyl)-4-methylpyridin-2-one?
3-(azocane-1-carbonyl)-1-(2-methoxyphenyl)-4-methylpyridin-2-one has a molecular weight of 354.45 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azocane-1-carbonyl)-1-(2-methoxyphenyl)-4-methylpyridin-2-one is sourced from PubChem (CID 172663458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).