3-amino-1-[(2-chlorophenyl)methyl]-4-methoxypyridin-2-one

C13H13ClN2O2 — CID 142026811

IUPAC3-amino-1-[(2-chlorophenyl)methyl]-4-methoxypyridin-2-one
SMILESCOc1ccn(Cc2ccccc2Cl)c(=O)c1N
InChIInChI=1S/C13H13ClN2O2/c1-18-11-6-7-16(13(17)12(11)15)8-9-4-2-3-5-10(9)14/h2-7H,8,15H2,1H3
InChIKeyWXENQLWKCHQHPB-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.14
Rot. Bonds3

About 3-amino-1-[(2-chlorophenyl)methyl]-4-methoxypyridin-2-one

3-amino-1-[(2-chlorophenyl)methyl]-4-methoxypyridin-2-one (PubChem CID 142026811) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 3-amino-1-[(2-chlorophenyl)methyl]-4-methoxypyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[(2-chlorophenyl)methyl]-4-methoxypyridin-2-one
PubChem CID142026811
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name3-amino-1-[(2-chlorophenyl)methyl]-4-methoxypyridin-2-one
SMILESCOc1ccn(Cc2ccccc2Cl)c(=O)c1N
InChIInChI=1S/C13H13ClN2O2/c1-18-11-6-7-16(13(17)12(11)15)8-9-4-2-3-5-10(9)14/h2-7H,8,15H2,1H3
InChIKeyWXENQLWKCHQHPB-UHFFFAOYSA-N
XLogP2.14
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]acetamide
CID 3828707
methyl N-[1-(2,6-dichlorobenzyl)-6-oxo-1,6-dihydro-3-pyridinyl]carbamate
CID 1483017
methyl N-[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]carbamate
CID 3747718
N-(4-chlorobenzyl)-5-methoxy-1-methyl-4-oxo-1,4-dihydropyridine-2-carboxamide
CID 30858968
N-[(2-chlorophenyl)methyl]-5-ethoxy-1-methyl-4-oxo-1,4-dihydropyridine-2-carboxamide
CID 30859018
N-[(2-Chlorophenyl)methyl]-8-methoxy-6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide
CID 91904402
2-acetamido-N-[(2-chlorophenyl)methyl]prop-2-enamide
CID 76307922
5-[(2-chloro-5-fluorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione
CID 22270776
5-[(5-chloro-2-fluorophenyl)methyl]-7-methyl-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione
CID 22270781
5-[(2-chloro-5-fluorophenyl)methyl]-7-methyl-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione
CID 22270972
5-[(2-chloro-6-fluorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione
CID 22271282
5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione
CID 22271293

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(2-chlorophenyl)methyl]-4-methoxypyridin-2-one?
The IUPAC name of 3-amino-1-[(2-chlorophenyl)methyl]-4-methoxypyridin-2-one (CID 142026811) is 3-amino-1-[(2-chlorophenyl)methyl]-4-methoxypyridin-2-one.
What is the SMILES notation for 3-amino-1-[(2-chlorophenyl)methyl]-4-methoxypyridin-2-one?
The canonical SMILES for 3-amino-1-[(2-chlorophenyl)methyl]-4-methoxypyridin-2-one is COc1ccn(Cc2ccccc2Cl)c(=O)c1N.
What is the InChIKey of 3-amino-1-[(2-chlorophenyl)methyl]-4-methoxypyridin-2-one?
The InChIKey is WXENQLWKCHQHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-18-11-6-7-16(13(17)12(11)15)8-9-4-2-3-5-10(9)14/h2-7H,8,15H2,1H3.
What are the key properties of 3-amino-1-[(2-chlorophenyl)methyl]-4-methoxypyridin-2-one?
3-amino-1-[(2-chlorophenyl)methyl]-4-methoxypyridin-2-one has a molecular weight of 264.71 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(2-chlorophenyl)methyl]-4-methoxypyridin-2-one is sourced from PubChem (CID 142026811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).