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

C16H17ClN2O2 — CID 140752518

IUPAC3-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
SMILESCc1cc(C)c(CNC(=O)c2cccc(Cl)c2C)c(=O)[nH]1
InChIInChI=1S/C16H17ClN2O2/c1-9-7-10(2)19-16(21)13(9)8-18-15(20)12-5-4-6-14(17)11(12)3/h4-7H,8H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyAVRWFNILBQRLLI-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.88
Rot. Bonds3

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

3-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide (PubChem CID 140752518) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 3-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
PubChem CID140752518
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name3-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
SMILESCc1cc(C)c(CNC(=O)c2cccc(Cl)c2C)c(=O)[nH]1
InChIInChI=1S/C16H17ClN2O2/c1-9-7-10(2)19-16(21)13(9)8-18-15(20)12-5-4-6-14(17)11(12)3/h4-7H,8H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyAVRWFNILBQRLLI-UHFFFAOYSA-N
XLogP2.88
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dichlorophenyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide
CID 17405202
5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-(methylamino)benzamide
CID 70913266
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 39994530
5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-piperidin-1-ylbenzamide
CID 90150987
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylacetamide
CID 71901607
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(hydroxymethyl)-4-methylthiophene-3-carboxamide
CID 137383779
5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(2,5-dioxopyrrolidin-1-yl)-2-methylbenzamide
CID 70913209
1-butan-2-yl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylindole-4-carboxamide
CID 123591063
4-(2-chlorophenoxy)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide
CID 52804898
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(5-hydroxy-5-methylcyclooctyl)amino]-2-methylbenzamide
CID 121381000
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-(2-hydroxypropan-2-yl)benzamide
CID 71569515
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethylbutanamide
CID 84559992

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide?
The IUPAC name of 3-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide (CID 140752518) is 3-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide.
What is the SMILES notation for 3-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide?
The canonical SMILES for 3-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide is Cc1cc(C)c(CNC(=O)c2cccc(Cl)c2C)c(=O)[nH]1.
What is the InChIKey of 3-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide?
The InChIKey is AVRWFNILBQRLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-9-7-10(2)19-16(21)13(9)8-18-15(20)12-5-4-6-14(17)11(12)3/h4-7H,8H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 3-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide?
3-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide has a molecular weight of 304.78 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide is sourced from PubChem (CID 140752518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).