2-chloro-N-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methyl]acetamide

C9H11ClN2O3 — CID 146105310

IUPAC2-chloro-N-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methyl]acetamide
SMILESCOc1cc[nH]c(=O)c1CNC(=O)CCl
InChIInChI=1S/C9H11ClN2O3/c1-15-7-2-3-11-9(14)6(7)5-12-8(13)4-10/h2-3H,4-5H2,1H3,(H,11,14)(H,12,13)
InChIKeyVOAKEXFBDYQKDA-UHFFFAOYSA-N
MW230.65 g/mol
LogP0.24
Rot. Bonds4

About 2-chloro-N-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methyl]acetamide

2-chloro-N-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methyl]acetamide (PubChem CID 146105310) has the molecular formula C9H11ClN2O3 and a molecular weight of 230.65 g/mol. Its IUPAC name is 2-chloro-N-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methyl]acetamide
PubChem CID146105310
Molecular FormulaC9H11ClN2O3
Molecular Weight230.65 g/mol
Exact Mass230.05
IUPAC Name2-chloro-N-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methyl]acetamide
SMILESCOc1cc[nH]c(=O)c1CNC(=O)CCl
InChIInChI=1S/C9H11ClN2O3/c1-15-7-2-3-11-9(14)6(7)5-12-8(13)4-10/h2-3H,4-5H2,1H3,(H,11,14)(H,12,13)
InChIKeyVOAKEXFBDYQKDA-UHFFFAOYSA-N
XLogP0.24
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[[4-chloro-2-[[[2-(4-methoxy-2-oxo-1H-pyridin-3-yl)acetyl]amino]methyl]phenyl]methyl]carbamate
CID 142690609
N-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 167899738
2-chloro-N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 7136765
2-chloro-N-[(3-methoxy-4-methylphenyl)methyl]acetamide
CID 166403835
N-(4-fluorophenyl)-2-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methylamino]butanamide
CID 167937454
2-chloro-N-[(2-methoxy-5-methylphenyl)methyl]acetamide
CID 82128305
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide
CID 139395079
N-[(3-acetamido-4-methoxyphenyl)methyl]-2-chloroacetamide
CID 13465084
2-amino-N-[(2,6-dimethoxyphenyl)methyl]acetamide;hydrochloride
CID 20788707
2-chloro-N-[(5,8-dimethoxyisoquinolin-1-yl)methyl]acetamide
CID 14092040
2-chloro-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide
CID 17385923
2-chloro-N-[(4-methoxy-3-propoxyphenyl)methyl]acetamide
CID 82110117

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methyl]acetamide (CID 146105310) is 2-chloro-N-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methyl]acetamide is COc1cc[nH]c(=O)c1CNC(=O)CCl.
What is the InChIKey of 2-chloro-N-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methyl]acetamide?
The InChIKey is VOAKEXFBDYQKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3/c1-15-7-2-3-11-9(14)6(7)5-12-8(13)4-10/h2-3H,4-5H2,1H3,(H,11,14)(H,12,13).
What are the key properties of 2-chloro-N-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methyl]acetamide?
2-chloro-N-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methyl]acetamide has a molecular weight of 230.65 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methyl]acetamide is sourced from PubChem (CID 146105310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).