5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpyridin-2-one

C14H15ClN2O2 — CID 104815922

IUPAC5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpyridin-2-one
SMILESCOc1cccc(Cl)c1CNc1ccc(=O)n(C)c1
InChIInChI=1S/C14H15ClN2O2/c1-17-9-10(6-7-14(17)18)16-8-11-12(15)4-3-5-13(11)19-2/h3-7,9,16H,8H2,1-2H3
InChIKeyBDIAOPJBODBEKX-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.66
Rot. Bonds4

About 5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpyridin-2-one

5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpyridin-2-one (PubChem CID 104815922) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpyridin-2-one
PubChem CID104815922
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpyridin-2-one
SMILESCOc1cccc(Cl)c1CNc1ccc(=O)n(C)c1
InChIInChI=1S/C14H15ClN2O2/c1-17-9-10(6-7-14(17)18)16-8-11-12(15)4-3-5-13(11)19-2/h3-7,9,16H,8H2,1-2H3
InChIKeyBDIAOPJBODBEKX-UHFFFAOYSA-N
XLogP2.66
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethylsulfonylaniline
CID 133475336
N-[(2-chloro-6-methoxyphenyl)methyl]-4-iodoaniline
CID 104815730
5-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]-1-methylpyridin-2-one
CID 60931968
5-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylphenol
CID 107700839
N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 104954500
N-[(2-chloro-6-methoxyphenyl)methyl]-6-nitropyridin-3-amine
CID 103292899
5-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbonitrile
CID 103292558
methyl 3-[(2-chloro-6-methoxyphenyl)methylamino]benzoate
CID 115884786
4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorophenol
CID 104816016
5-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbothioamide
CID 103292610
2-amino-4-[(2-chloro-6-methoxyphenyl)methylamino]benzoic acid
CID 103293324
2-bromo-3-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]aniline
CID 103478606

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpyridin-2-one?
The IUPAC name of 5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpyridin-2-one (CID 104815922) is 5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpyridin-2-one?
The canonical SMILES for 5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpyridin-2-one is COc1cccc(Cl)c1CNc1ccc(=O)n(C)c1.
What is the InChIKey of 5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpyridin-2-one?
The InChIKey is BDIAOPJBODBEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-17-9-10(6-7-14(17)18)16-8-11-12(15)4-3-5-13(11)19-2/h3-7,9,16H,8H2,1-2H3.
What are the key properties of 5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpyridin-2-one?
5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpyridin-2-one has a molecular weight of 278.74 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpyridin-2-one is sourced from PubChem (CID 104815922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).