N-[(3-chlorophenyl)methyl]-N-ethyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide

C16H17ClN2O2 — CID 103717535

IUPACN-[(3-chlorophenyl)methyl]-N-ethyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCN(Cc1cccc(Cl)c1)C(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C16H17ClN2O2/c1-3-19(10-12-5-4-6-13(17)8-12)16(21)14-9-18-11(2)7-15(14)20/h4-9H,3,10H2,1-2H3,(H,18,20)
InChIKeyYSWJDKRGXLMZCJ-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.00
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-N-ethyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide

N-[(3-chlorophenyl)methyl]-N-ethyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103717535) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-ethyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-ethyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103717535
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-[(3-chlorophenyl)methyl]-N-ethyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCN(Cc1cccc(Cl)c1)C(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C16H17ClN2O2/c1-3-19(10-12-5-4-6-13(17)8-12)16(21)14-9-18-11(2)7-15(14)20/h4-9H,3,10H2,1-2H3,(H,18,20)
InChIKeyYSWJDKRGXLMZCJ-UHFFFAOYSA-N
XLogP3.00
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-diamino-N-[(3-chlorophenyl)methyl]-N-ethylbenzamide
CID 61105036
2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-5-hydroxybenzamide
CID 107074471
N-[(3-chlorophenyl)methyl]-N-ethyl-2-fluoropyridine-3-carboxamide
CID 107358643
2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-6-methylbenzamide
CID 61106536
N-ethyl-N-(2-methoxyethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717540
N-[(3-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide
CID 103514771
1-benzyl-3-[(3-chlorophenyl)methyl]-1-ethylurea
CID 110301185
1-[(3-chlorophenyl)methyl]-3,3-diethyl-1-methylurea
CID 115618548
N,N-dibutyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717584
N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpiperidine-4-carboxamide
CID 63122209
N-[(2,3-dichlorophenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717353
4-[[(3-chlorophenyl)methyl-ethylcarbamoyl]amino]butanoic acid
CID 122021633

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-ethyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-ethyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 103717535) is N-[(3-chlorophenyl)methyl]-N-ethyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-ethyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-ethyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide is CCN(Cc1cccc(Cl)c1)C(=O)c1c[nH]c(C)cc1=O.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-ethyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is YSWJDKRGXLMZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-3-19(10-12-5-4-6-13(17)8-12)16(21)14-9-18-11(2)7-15(14)20/h4-9H,3,10H2,1-2H3,(H,18,20).
What are the key properties of N-[(3-chlorophenyl)methyl]-N-ethyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-[(3-chlorophenyl)methyl]-N-ethyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-ethyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103717535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).