5-chloro-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide

C14H11Cl3N2O2 — CID 1482990

IUPAC5-chloro-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(Cl)cn(Cc2ccc(Cl)c(Cl)c2)c1=O
InChIInChI=1S/C14H11Cl3N2O2/c1-18-13(20)10-5-9(15)7-19(14(10)21)6-8-2-3-11(16)12(17)4-8/h2-5,7H,6H2,1H3,(H,18,20)
InChIKeyFHBVHYBGGVWEMS-UHFFFAOYSA-N
MW345.61 g/mol
LogP3.22
Rot. Bonds3

About 5-chloro-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide

5-chloro-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide (PubChem CID 1482990) has the molecular formula C14H11Cl3N2O2 and a molecular weight of 345.61 g/mol. Its IUPAC name is 5-chloro-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide
PubChem CID1482990
Molecular FormulaC14H11Cl3N2O2
Molecular Weight345.61 g/mol
Exact Mass343.99
IUPAC Name5-chloro-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(Cl)cn(Cc2ccc(Cl)c(Cl)c2)c1=O
InChIInChI=1S/C14H11Cl3N2O2/c1-18-13(20)10-5-9(15)7-19(14(10)21)6-8-2-3-11(16)12(17)4-8/h2-5,7H,6H2,1H3,(H,18,20)
InChIKeyFHBVHYBGGVWEMS-UHFFFAOYSA-N
XLogP3.22
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.61
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 5-chloro-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide (CID 1482990) is 5-chloro-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 5-chloro-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide is CNC(=O)c1cc(Cl)cn(Cc2ccc(Cl)c(Cl)c2)c1=O.
What is the InChIKey of 5-chloro-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is FHBVHYBGGVWEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N2O2/c1-18-13(20)10-5-9(15)7-19(14(10)21)6-8-2-3-11(16)12(17)4-8/h2-5,7H,6H2,1H3,(H,18,20).
What are the key properties of 5-chloro-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide?
5-chloro-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 345.61 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 1482990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).