N-[(2,3-dichlorophenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide

C15H14Cl2N2O2 — CID 103717353

IUPACN-[(2,3-dichlorophenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(C)Cc2cccc(Cl)c2Cl)c[nH]1
InChIInChI=1S/C15H14Cl2N2O2/c1-9-6-13(20)11(7-18-9)15(21)19(2)8-10-4-3-5-12(16)14(10)17/h3-7H,8H2,1-2H3,(H,18,20)
InChIKeyJJWRKKLWQXFWGR-UHFFFAOYSA-N
MW325.20 g/mol
LogP3.26
Rot. Bonds3

About N-[(2,3-dichlorophenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide

N-[(2,3-dichlorophenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103717353) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103717353
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(C)Cc2cccc(Cl)c2Cl)c[nH]1
InChIInChI=1S/C15H14Cl2N2O2/c1-9-6-13(20)11(7-18-9)15(21)19(2)8-10-4-3-5-12(16)14(10)17/h3-7H,8H2,1-2H3,(H,18,20)
InChIKeyJJWRKKLWQXFWGR-UHFFFAOYSA-N
XLogP3.26
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,6-dimethyl-N-[(2-methylphenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103696213
N-benzyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 110851115
N-[(2,3-dichlorophenyl)methyl]-2-iodo-N-methylbenzamide
CID 60628160
N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60628158
5-bromo-N-[(2,3-dichlorophenyl)methyl]-2-hydroxy-N-methylbenzamide
CID 35977920
N,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103696217
(2,3-dichlorophenyl)methyl-methylcarbamic acid
CID 23189896
N-[(4-methoxyphenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 103696208
3-amino-N-[(2,3-dichlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60938036
N-[(2,3-dichlorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide
CID 79692774
N-[(2,3-dichlorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 115645448
N-butyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 110855743

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide (CID 103717353) is N-[(2,3-dichlorophenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)N(C)Cc2cccc(Cl)c2Cl)c[nH]1.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is JJWRKKLWQXFWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-9-6-13(20)11(7-18-9)15(21)19(2)8-10-4-3-5-12(16)14(10)17/h3-7H,8H2,1-2H3,(H,18,20).
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide?
N-[(2,3-dichlorophenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 325.20 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103717353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).