N-(5-chloro-2-cyanophenyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide

C20H13Cl2N3O2 — CID 8671276

IUPACN-(5-chloro-2-cyanophenyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H13Cl2N3O2/c21-16-5-1-13(2-6-16)11-25-12-15(4-8-19(25)26)20(27)24-18-9-17(22)7-3-14(18)10-23/h1-9,12H,11H2,(H,24,27)
InChIKeyMGOLMVIZPOWMOE-UHFFFAOYSA-N
MW398.25 g/mol
LogP4.33
Rot. Bonds4

About N-(5-chloro-2-cyanophenyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide

N-(5-chloro-2-cyanophenyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide (PubChem CID 8671276) has the molecular formula C20H13Cl2N3O2 and a molecular weight of 398.25 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
PubChem CID8671276
Molecular FormulaC20H13Cl2N3O2
Molecular Weight398.25 g/mol
Exact Mass397.04
IUPAC NameN-(5-chloro-2-cyanophenyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H13Cl2N3O2/c21-16-5-1-13(2-6-16)11-25-12-15(4-8-19(25)26)20(27)24-18-9-17(22)7-3-14(18)10-23/h1-9,12H,11H2,(H,24,27)
InChIKeyMGOLMVIZPOWMOE-UHFFFAOYSA-N
XLogP4.33
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.25
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 3731074
methyl 3-[[1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]thiophene-2-carboxylate
CID 1482953
N-(5-chloro-2-cyanophenyl)-4-methylbenzamide
CID 60628684
N-(5-chloro-2-cyanophenyl)-4-fluorobenzamide
CID 60628744
N-(2-cyanophenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 8697272
N-(2,4-dichlorophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 18582715
1-benzyl-N-(2-fluorophenyl)-6-oxopyridine-3-carboxamide
CID 8670963
1-[(4-methylphenyl)methyl]-6-oxo-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 8697162
1-benzyl-N'-(4-chlorobenzoyl)-6-oxopyridine-3-carbohydrazide
CID 27370713
1-[(4-chlorophenyl)methyl]-6-oxo-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 3778980
1-benzyl-N-(2-chloro-4-nitrophenyl)-6-oxopyridine-3-carboxamide
CID 110382697
1-[(3-chlorophenyl)methyl]-N-(3,4-difluorophenyl)-6-oxopyridine-3-carboxamide
CID 26844102

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide (CID 8671276) is N-(5-chloro-2-cyanophenyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide is N#Cc1ccc(Cl)cc1NC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide?
The InChIKey is MGOLMVIZPOWMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N3O2/c21-16-5-1-13(2-6-16)11-25-12-15(4-8-19(25)26)20(27)24-18-9-17(22)7-3-14(18)10-23/h1-9,12H,11H2,(H,24,27).
What are the key properties of N-(5-chloro-2-cyanophenyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide?
N-(5-chloro-2-cyanophenyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide has a molecular weight of 398.25 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 8671276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).