5-chloro-1-[(2,6-dichlorophenyl)methyl]-N-methyl-6-oxo-N-phenylpyridine-3-carboxamide

C20H15Cl3N2O2 — CID 1485975

IUPAC5-chloro-1-[(2,6-dichlorophenyl)methyl]-N-methyl-6-oxo-N-phenylpyridine-3-carboxamide
SMILESCN(C(=O)c1cc(Cl)c(=O)n(Cc2c(Cl)cccc2Cl)c1)c1ccccc1
InChIInChI=1S/C20H15Cl3N2O2/c1-24(14-6-3-2-4-7-14)19(26)13-10-18(23)20(27)25(11-13)12-15-16(21)8-5-9-17(15)22/h2-11H,12H2,1H3
InChIKeyARGQRQILNLOQOL-UHFFFAOYSA-N
MW421.71 g/mol
LogP5.13
Rot. Bonds4

About 5-chloro-1-[(2,6-dichlorophenyl)methyl]-N-methyl-6-oxo-N-phenylpyridine-3-carboxamide

5-chloro-1-[(2,6-dichlorophenyl)methyl]-N-methyl-6-oxo-N-phenylpyridine-3-carboxamide (PubChem CID 1485975) has the molecular formula C20H15Cl3N2O2 and a molecular weight of 421.71 g/mol. Its IUPAC name is 5-chloro-1-[(2,6-dichlorophenyl)methyl]-N-methyl-6-oxo-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(2,6-dichlorophenyl)methyl]-N-methyl-6-oxo-N-phenylpyridine-3-carboxamide
PubChem CID1485975
Molecular FormulaC20H15Cl3N2O2
Molecular Weight421.71 g/mol
Exact Mass420.02
IUPAC Name5-chloro-1-[(2,6-dichlorophenyl)methyl]-N-methyl-6-oxo-N-phenylpyridine-3-carboxamide
SMILESCN(C(=O)c1cc(Cl)c(=O)n(Cc2c(Cl)cccc2Cl)c1)c1ccccc1
InChIInChI=1S/C20H15Cl3N2O2/c1-24(14-6-3-2-4-7-14)19(26)13-10-18(23)20(27)25(11-13)12-15-16(21)8-5-9-17(15)22/h2-11H,12H2,1H3
InChIKeyARGQRQILNLOQOL-UHFFFAOYSA-N
XLogP5.13
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.71
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2,6-dichlorophenyl)methyl]-N-methyl-6-oxo-N-phenylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-1-[(2,6-dichlorophenyl)methyl]-N-methyl-6-oxo-N-phenylpyridine-3-carboxamide (CID 1485975) is 5-chloro-1-[(2,6-dichlorophenyl)methyl]-N-methyl-6-oxo-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-1-[(2,6-dichlorophenyl)methyl]-N-methyl-6-oxo-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-1-[(2,6-dichlorophenyl)methyl]-N-methyl-6-oxo-N-phenylpyridine-3-carboxamide is CN(C(=O)c1cc(Cl)c(=O)n(Cc2c(Cl)cccc2Cl)c1)c1ccccc1.
What is the InChIKey of 5-chloro-1-[(2,6-dichlorophenyl)methyl]-N-methyl-6-oxo-N-phenylpyridine-3-carboxamide?
The InChIKey is ARGQRQILNLOQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl3N2O2/c1-24(14-6-3-2-4-7-14)19(26)13-10-18(23)20(27)25(11-13)12-15-16(21)8-5-9-17(15)22/h2-11H,12H2,1H3.
What are the key properties of 5-chloro-1-[(2,6-dichlorophenyl)methyl]-N-methyl-6-oxo-N-phenylpyridine-3-carboxamide?
5-chloro-1-[(2,6-dichlorophenyl)methyl]-N-methyl-6-oxo-N-phenylpyridine-3-carboxamide has a molecular weight of 421.71 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2,6-dichlorophenyl)methyl]-N-methyl-6-oxo-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 1485975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).