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

C18H21ClN2O3 — CID 118324514

IUPAC2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-propan-2-yloxybenzamide
SMILESCc1cc(C)c(CNC(=O)c2cccc(OC(C)C)c2Cl)c(=O)[nH]1
InChIInChI=1S/C18H21ClN2O3/c1-10(2)24-15-7-5-6-13(16(15)19)17(22)20-9-14-11(3)8-12(4)21-18(14)23/h5-8,10H,9H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyJSDDUMHBUFOBAZ-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.36
Rot. Bonds5

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

2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-propan-2-yloxybenzamide (PubChem CID 118324514) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-propan-2-yloxybenzamide.

Molecular Properties

Compound Name2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-propan-2-yloxybenzamide
PubChem CID118324514
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-propan-2-yloxybenzamide
SMILESCc1cc(C)c(CNC(=O)c2cccc(OC(C)C)c2Cl)c(=O)[nH]1
InChIInChI=1S/C18H21ClN2O3/c1-10(2)24-15-7-5-6-13(16(15)19)17(22)20-9-14-11(3)8-12(4)21-18(14)23/h5-8,10H,9H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyJSDDUMHBUFOBAZ-UHFFFAOYSA-N
XLogP3.36
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-propan-2-yloxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
(13E)-17-(4-aminocyclohexyl)oxy-19-chloro-8-methyl-3,7-diazatricyclo[14.4.0.05,10]icosa-1(16),5(10),8,13,17,19-hexaene-2,6-dione
CID 86345389
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
N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3-isopropoxy-2-methylbenzamide
CID 89905749
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-[(3R)-oxolan-3-yl]oxy-3,4-dihydroisoquinolin-1-one
CID 90234196
8-chloro-2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-7-propan-2-yloxy-3,4-dihydroisoquinolin-1-one
CID 90246162
2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methoxybenzamide
CID 118334593
N-(3-amino-3-oxopropyl)-2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)benzamide
CID 162644895
N-butan-2-yl-4-[(2-chlorophenoxy)methyl]benzamide
CID 2941174
(13Z)-17-(4-aminocyclohexyl)oxy-19-chloro-8-methyl-3,7-diazatricyclo[14.4.0.05,10]icosa-1(16),5(10),8,13,17,19-hexaene-2,6-dione
CID 117824289

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-propan-2-yloxybenzamide?
The IUPAC name of 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-propan-2-yloxybenzamide (CID 118324514) is 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-propan-2-yloxybenzamide.
What is the SMILES notation for 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-propan-2-yloxybenzamide?
The canonical SMILES for 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-propan-2-yloxybenzamide is Cc1cc(C)c(CNC(=O)c2cccc(OC(C)C)c2Cl)c(=O)[nH]1.
What is the InChIKey of 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-propan-2-yloxybenzamide?
The InChIKey is JSDDUMHBUFOBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-10(2)24-15-7-5-6-13(16(15)19)17(22)20-9-14-11(3)8-12(4)21-18(14)23/h5-8,10H,9H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-propan-2-yloxybenzamide?
2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-propan-2-yloxybenzamide has a molecular weight of 348.83 g/mol, XLogP of 3.36, 5 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-propan-2-yloxybenzamide is sourced from PubChem (CID 118324514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).