methyl 1-[1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonyl]azetidine-3-carboxylate

C19H20N2O5 — CID 172656047

IUPACmethyl 1-[1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonyl]azetidine-3-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2c(C)ccn(-c3ccccc3OC)c2=O)C1
InChIInChI=1S/C19H20N2O5/c1-12-8-9-21(14-6-4-5-7-15(14)25-2)18(23)16(12)17(22)20-10-13(11-20)19(24)26-3/h4-9,13H,10-11H2,1-3H3
InChIKeyFHXLIWDZDUADOG-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.40
Rot. Bonds4

About methyl 1-[1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonyl]azetidine-3-carboxylate

methyl 1-[1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonyl]azetidine-3-carboxylate (PubChem CID 172656047) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is methyl 1-[1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonyl]azetidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonyl]azetidine-3-carboxylate
PubChem CID172656047
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Namemethyl 1-[1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonyl]azetidine-3-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2c(C)ccn(-c3ccccc3OC)c2=O)C1
InChIInChI=1S/C19H20N2O5/c1-12-8-9-21(14-6-4-5-7-15(14)25-2)18(23)16(12)17(22)20-10-13(11-20)19(24)26-3/h4-9,13H,10-11H2,1-3H3
InChIKeyFHXLIWDZDUADOG-UHFFFAOYSA-N
XLogP1.40
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(azocane-1-carbonyl)-1-(2-methoxyphenyl)-4-methylpyridin-2-one
CID 172663458
3-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazine-1-carbonyl]-1-(2-methoxyphenyl)-4-methylpyridin-2-one
CID 172671190
1-(2-methoxyphenyl)-4-methyl-3-[3-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]pyridin-2-one
CID 172660066
1-(2-methoxyphenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-2-oxopyridine-3-carboxamide
CID 172658075
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
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-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 82117382
methyl 4-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazine-2-carboxylate;hydrochloride
CID 172912085
methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 84581536
N-[(1-benzylimidazol-2-yl)methyl]-1-(2-methoxyphenyl)-N,4-dimethyl-2-oxopyridine-3-carboxamide
CID 172657218

Frequently Asked Questions

What is the IUPAC name of methyl 1-[1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonyl]azetidine-3-carboxylate?
The IUPAC name of methyl 1-[1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonyl]azetidine-3-carboxylate (CID 172656047) is methyl 1-[1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonyl]azetidine-3-carboxylate.
What is the SMILES notation for methyl 1-[1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonyl]azetidine-3-carboxylate?
The canonical SMILES for methyl 1-[1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonyl]azetidine-3-carboxylate is COC(=O)C1CN(C(=O)c2c(C)ccn(-c3ccccc3OC)c2=O)C1.
What is the InChIKey of methyl 1-[1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonyl]azetidine-3-carboxylate?
The InChIKey is FHXLIWDZDUADOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-12-8-9-21(14-6-4-5-7-15(14)25-2)18(23)16(12)17(22)20-10-13(11-20)19(24)26-3/h4-9,13H,10-11H2,1-3H3.
What are the key properties of methyl 1-[1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonyl]azetidine-3-carboxylate?
methyl 1-[1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonyl]azetidine-3-carboxylate has a molecular weight of 356.38 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonyl]azetidine-3-carboxylate is sourced from PubChem (CID 172656047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).