6-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide

C14H11Cl2N3O2 — CID 60795097

IUPAC6-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESCNC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Cl)nc2)c1
InChIInChI=1S/C14H11Cl2N3O2/c1-17-13(20)8-2-4-10(15)11(6-8)19-14(21)9-3-5-12(16)18-7-9/h2-7H,1H3,(H,17,20)(H,19,21)
InChIKeyJZEBCNSBPWQKHS-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.00
Rot. Bonds3

About 6-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide

6-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide (PubChem CID 60795097) has the molecular formula C14H11Cl2N3O2 and a molecular weight of 324.17 g/mol. Its IUPAC name is 6-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
PubChem CID60795097
Molecular FormulaC14H11Cl2N3O2
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name6-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESCNC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Cl)nc2)c1
InChIInChI=1S/C14H11Cl2N3O2/c1-17-13(20)8-2-4-10(15)11(6-8)19-14(21)9-3-5-12(16)18-7-9/h2-7H,1H3,(H,17,20)(H,19,21)
InChIKeyJZEBCNSBPWQKHS-UHFFFAOYSA-N
XLogP3.00
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(2-chloro-5-methylphenyl)pyridine-3-carboxamide
CID 103769566
2-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 103758998
3-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 66484687
2-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 60794828
tert-butyl N-[2-chloro-5-(methylcarbamoyl)phenyl]carbamate
CID 65142598
6-chloro-N-(4-chloro-3-methylphenyl)pyridine-3-carboxamide
CID 91312921
6-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 46439271
5-chloro-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 107246307
N-[2-chloro-5-(methylcarbamoyl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 87004486
6-chloro-N-(5-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 43384926
6-chloro-N-(2-methylphenyl)pyridine-3-carboxamide
CID 2599141
4-chloro-3-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid
CID 43358856

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide (CID 60795097) is 6-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide is CNC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Cl)nc2)c1.
What is the InChIKey of 6-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide?
The InChIKey is JZEBCNSBPWQKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O2/c1-17-13(20)8-2-4-10(15)11(6-8)19-14(21)9-3-5-12(16)18-7-9/h2-7H,1H3,(H,17,20)(H,19,21).
What are the key properties of 6-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide?
6-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide has a molecular weight of 324.17 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 60795097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).