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

C14H11Cl2N3O2 — CID 60794828

IUPAC2-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESCNC(=O)c1ccc(Cl)c(NC(=O)c2cccnc2Cl)c1
InChIInChI=1S/C14H11Cl2N3O2/c1-17-13(20)8-4-5-10(15)11(7-8)19-14(21)9-3-2-6-18-12(9)16/h2-7H,1H3,(H,17,20)(H,19,21)
InChIKeyXWHXRVRVXSSGRB-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.00
Rot. Bonds3

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

2-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide (PubChem CID 60794828) has the molecular formula C14H11Cl2N3O2 and a molecular weight of 324.17 g/mol. Its IUPAC name is 2-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
PubChem CID60794828
Molecular FormulaC14H11Cl2N3O2
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name2-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESCNC(=O)c1ccc(Cl)c(NC(=O)c2cccnc2Cl)c1
InChIInChI=1S/C14H11Cl2N3O2/c1-17-13(20)8-4-5-10(15)11(7-8)19-14(21)9-3-2-6-18-12(9)16/h2-7H,1H3,(H,17,20)(H,19,21)
InChIKeyXWHXRVRVXSSGRB-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

3-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 66484687
3-[(2-chloropyridine-3-carbonyl)amino]-4-hydroxybenzoic acid
CID 9182555
2-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 103758998
6-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 60795097
methyl 4-[(2-chloropyridine-3-carbonyl)amino]-3-methylbenzoate
CID 60722400
N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide
CID 61375906
methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate
CID 4051547
4-[(2-chlorobenzoyl)amino]-N,3-dimethylbenzamide
CID 131930892
2-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 4245221
2-chloro-N-(3-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 103892911
2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 9097781
N-(2-tert-butylphenyl)-2-chloropyridine-3-carboxamide
CID 60628052

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide (CID 60794828) is 2-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide is CNC(=O)c1ccc(Cl)c(NC(=O)c2cccnc2Cl)c1.
What is the InChIKey of 2-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide?
The InChIKey is XWHXRVRVXSSGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O2/c1-17-13(20)8-4-5-10(15)11(7-8)19-14(21)9-3-2-6-18-12(9)16/h2-7H,1H3,(H,17,20)(H,19,21).
What are the key properties of 2-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide?
2-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 2-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 60794828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).