2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methoxybenzamide

C16H17ClN2O3 — CID 118334593

IUPAC2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1Cl
InChIInChI=1S/C16H17ClN2O3/c1-9-7-10(2)19-16(21)12(9)8-18-15(20)11-5-4-6-13(22-3)14(11)17/h4-7H,8H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyUFVQQKTVZOCBDT-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.58
Rot. Bonds4

About 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methoxybenzamide

2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methoxybenzamide (PubChem CID 118334593) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methoxybenzamide.

Molecular Properties

Compound Name2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methoxybenzamide
PubChem CID118334593
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1Cl
InChIInChI=1S/C16H17ClN2O3/c1-9-7-10(2)19-16(21)12(9)8-18-15(20)11-5-4-6-13(22-3)14(11)17/h4-7H,8H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyUFVQQKTVZOCBDT-UHFFFAOYSA-N
XLogP2.58
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-fluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 2933867
8-chloro-2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-7-methoxy-3,4-dihydroisoquinolin-1-one
CID 78319363
8-chloro-2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-7-ethoxy-3,4-dihydroisoquinolin-1-one
CID 78319867
6-chloro-4-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-methoxy-3,4-dihydro-1,4-benzoxazepin-5(2H)-one
CID 86723793
9-chloro-2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-8-methoxy-4,5-dihydro-3H-2-benzazepin-1-one
CID 90233370
8-chloro-2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-7-propan-2-yloxy-3,4-dihydroisoquinolin-1-one
CID 90246162
N-(3-amino-3-oxopropyl)-2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)benzamide
CID 162644895
N-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]-3-methoxybenzamide
CID 71717108
4-chloro-N-[4-[(3-methoxyphenyl)methylamino]-4-oxobutyl]benzamide
CID 4827142
N-butan-2-yl-4-[(2-chlorophenoxy)methyl]benzamide
CID 2941174
N-[(1,2-Dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3-methoxy-2-methylbenzamide
CID 118046535
2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-propan-2-yloxybenzamide
CID 118324514

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methoxybenzamide?
The IUPAC name of 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methoxybenzamide (CID 118334593) is 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methoxybenzamide.
What is the SMILES notation for 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methoxybenzamide?
The canonical SMILES for 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methoxybenzamide is COc1cccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1Cl.
What is the InChIKey of 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methoxybenzamide?
The InChIKey is UFVQQKTVZOCBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-9-7-10(2)19-16(21)12(9)8-18-15(20)11-5-4-6-13(22-3)14(11)17/h4-7H,8H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methoxybenzamide?
2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methoxybenzamide has a molecular weight of 320.78 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methoxybenzamide is sourced from PubChem (CID 118334593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).