N-(4-carbamoyl-3-chlorophenyl)-4-chloropyridine-3-carboxamide

C13H9Cl2N3O2 — CID 81226788

IUPACN-(4-carbamoyl-3-chlorophenyl)-4-chloropyridine-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2cnccc2Cl)cc1Cl
InChIInChI=1S/C13H9Cl2N3O2/c14-10-3-4-17-6-9(10)13(20)18-7-1-2-8(12(16)19)11(15)5-7/h1-6H,(H2,16,19)(H,18,20)
InChIKeyILNLLOZMLMEELO-UHFFFAOYSA-N
MW310.14 g/mol
LogP2.74
Rot. Bonds3

About N-(4-carbamoyl-3-chlorophenyl)-4-chloropyridine-3-carboxamide

N-(4-carbamoyl-3-chlorophenyl)-4-chloropyridine-3-carboxamide (PubChem CID 81226788) has the molecular formula C13H9Cl2N3O2 and a molecular weight of 310.14 g/mol. Its IUPAC name is N-(4-carbamoyl-3-chlorophenyl)-4-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoyl-3-chlorophenyl)-4-chloropyridine-3-carboxamide
PubChem CID81226788
Molecular FormulaC13H9Cl2N3O2
Molecular Weight310.14 g/mol
Exact Mass309.01
IUPAC NameN-(4-carbamoyl-3-chlorophenyl)-4-chloropyridine-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2cnccc2Cl)cc1Cl
InChIInChI=1S/C13H9Cl2N3O2/c14-10-3-4-17-6-9(10)13(20)18-7-1-2-8(12(16)19)11(15)5-7/h1-6H,(H2,16,19)(H,18,20)
InChIKeyILNLLOZMLMEELO-UHFFFAOYSA-N
XLogP2.74
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.14
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-amino-4-chlorobenzoyl)amino]-2-chlorobenzamide
CID 62057564
N-(4-carbamoyl-3-chlorophenyl)-6-chloropyridazine-3-carboxamide
CID 61051510
3-[(4-carbamoyl-3-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 56762366
4-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 81225135
N-(3,4-dichlorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81442671
4-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 81233431
4-chloro-N-(3-hydroxy-4-methylphenyl)pyridine-3-carboxamide
CID 107701234
4-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 81230238
4-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide
CID 81227052
4-amino-N-(4-carbamoyl-3-chlorophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688148
3-amino-N-(3-bromo-4-chlorophenyl)pyridine-4-carboxamide
CID 105070699
4-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 81229781

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoyl-3-chlorophenyl)-4-chloropyridine-3-carboxamide?
The IUPAC name of N-(4-carbamoyl-3-chlorophenyl)-4-chloropyridine-3-carboxamide (CID 81226788) is N-(4-carbamoyl-3-chlorophenyl)-4-chloropyridine-3-carboxamide.
What is the SMILES notation for N-(4-carbamoyl-3-chlorophenyl)-4-chloropyridine-3-carboxamide?
The canonical SMILES for N-(4-carbamoyl-3-chlorophenyl)-4-chloropyridine-3-carboxamide is NC(=O)c1ccc(NC(=O)c2cnccc2Cl)cc1Cl.
What is the InChIKey of N-(4-carbamoyl-3-chlorophenyl)-4-chloropyridine-3-carboxamide?
The InChIKey is ILNLLOZMLMEELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O2/c14-10-3-4-17-6-9(10)13(20)18-7-1-2-8(12(16)19)11(15)5-7/h1-6H,(H2,16,19)(H,18,20).
What are the key properties of N-(4-carbamoyl-3-chlorophenyl)-4-chloropyridine-3-carboxamide?
N-(4-carbamoyl-3-chlorophenyl)-4-chloropyridine-3-carboxamide has a molecular weight of 310.14 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoyl-3-chlorophenyl)-4-chloropyridine-3-carboxamide is sourced from PubChem (CID 81226788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).