N-[(3-chlorophenyl)methyl]-N-methyl-6-oxo-1H-pyridine-2-carboxamide

C14H13ClN2O2 — CID 107261420

IUPACN-[(3-chlorophenyl)methyl]-N-methyl-6-oxo-1H-pyridine-2-carboxamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C14H13ClN2O2/c1-17(9-10-4-2-5-11(15)8-10)14(19)12-6-3-7-13(18)16-12/h2-8H,9H2,1H3,(H,16,18)
InChIKeyQNIRKGFXROGFHM-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.30
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]-N-methyl-6-oxo-1H-pyridine-2-carboxamide

N-[(3-chlorophenyl)methyl]-N-methyl-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 107261420) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-methyl-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-methyl-6-oxo-1H-pyridine-2-carboxamide
PubChem CID107261420
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC NameN-[(3-chlorophenyl)methyl]-N-methyl-6-oxo-1H-pyridine-2-carboxamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C14H13ClN2O2/c1-17(9-10-4-2-5-11(15)8-10)14(19)12-6-3-7-13(18)16-12/h2-8H,9H2,1H3,(H,16,18)
InChIKeyQNIRKGFXROGFHM-UHFFFAOYSA-N
XLogP2.30
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dichloro-N-[(3-chlorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 86915193
1-[(3-chlorophenyl)methyl]-3,3-diethyl-1-methylurea
CID 115618548
(3-chlorophenyl)methyl 6-oxo-1H-pyridine-2-carboxylate
CID 24755074
N-[(3-chlorophenyl)methyl]-N-methyl-4-pyrrol-1-ylbenzamide
CID 24545195
5-amino-N-[(3-chlorophenyl)methyl]-N,2,4-trimethylbenzamide
CID 102705155
2-amino-3-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 115540200
N-[(3-chlorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 78982133
N-[(3-chlorophenyl)methyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 35691680
3-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide
CID 64685066
N-[(3-chlorophenyl)methyl]-N-methyl-3,5-dinitrobenzamide
CID 27795250
2,5-dibromo-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 114370543
N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide
CID 78771235

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-6-oxo-1H-pyridine-2-carboxamide (CID 107261420) is N-[(3-chlorophenyl)methyl]-N-methyl-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-methyl-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-methyl-6-oxo-1H-pyridine-2-carboxamide is CN(Cc1cccc(Cl)c1)C(=O)c1cccc(=O)[nH]1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-methyl-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is QNIRKGFXROGFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-17(9-10-4-2-5-11(15)8-10)14(19)12-6-3-7-13(18)16-12/h2-8H,9H2,1H3,(H,16,18).
What are the key properties of N-[(3-chlorophenyl)methyl]-N-methyl-6-oxo-1H-pyridine-2-carboxamide?
N-[(3-chlorophenyl)methyl]-N-methyl-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 276.72 g/mol, XLogP of 2.30, 3 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-methyl-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 107261420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).