N-[1-(3-chlorophenyl)ethyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide

C16H17ClN2O2 — CID 103612228

IUPACN-[1-(3-chlorophenyl)ethyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C16H17ClN2O2/c1-11(12-5-4-6-14(17)9-12)19(3)16(21)13-7-8-18(2)15(20)10-13/h4-11H,1-3H3
InChIKeyLIXJASBMDPJCPL-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.87
Rot. Bonds3

About N-[1-(3-chlorophenyl)ethyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide

N-[1-(3-chlorophenyl)ethyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide (PubChem CID 103612228) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide
PubChem CID103612228
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C16H17ClN2O2/c1-11(12-5-4-6-14(17)9-12)19(3)16(21)13-7-8-18(2)15(20)10-13/h4-11H,1-3H3
InChIKeyLIXJASBMDPJCPL-UHFFFAOYSA-N
XLogP2.87
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(3-chlorophenyl)ethyl]-4-fluoro-N-methylbenzamide
CID 61139880
N-[(3-chlorophenyl)methyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 35691680
N-[1-(3-chlorophenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 46591279
6-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62978574
N-[1-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 46587835
N,N,1-trimethyl-2-oxopyridine-4-carboxamide
CID 60735672
6-amino-5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62728769
N-(1-methoxypropan-2-yl)-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 113224184
3-chloro-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635500
4-amino-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide
CID 66123414
N-methoxy-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 60731291
2-amino-6-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylbenzamide
CID 63659864

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide (CID 103612228) is N-[1-(3-chlorophenyl)ethyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide is CC(c1cccc(Cl)c1)N(C)C(=O)c1ccn(C)c(=O)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide?
The InChIKey is LIXJASBMDPJCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-11(12-5-4-6-14(17)9-12)19(3)16(21)13-7-8-18(2)15(20)10-13/h4-11H,1-3H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide?
N-[1-(3-chlorophenyl)ethyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 103612228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).