6-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-2-carboxamide

C15H14ClN3O2 — CID 62234186

IUPAC6-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1ccc(NC(=O)c2cccc(Cl)n2)cc1
InChIInChI=1S/C15H14ClN3O2/c1-19(2)15(21)10-6-8-11(9-7-10)17-14(20)12-4-3-5-13(16)18-12/h3-9H,1-2H3,(H,17,20)
InChIKeyADBPGRDAJOYSTQ-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.69
Rot. Bonds3

About 6-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-2-carboxamide

6-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-2-carboxamide (PubChem CID 62234186) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 6-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-2-carboxamide
PubChem CID62234186
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name6-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1ccc(NC(=O)c2cccc(Cl)n2)cc1
InChIInChI=1S/C15H14ClN3O2/c1-19(2)15(21)10-6-8-11(9-7-10)17-14(20)12-4-3-5-13(16)18-12/h3-9H,1-2H3,(H,17,20)
InChIKeyADBPGRDAJOYSTQ-UHFFFAOYSA-N
XLogP2.69
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 8698586
N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55143046
N-[4-(2-amino-2-oxoethyl)phenyl]-6-chloropyridine-2-carboxamide
CID 62233473
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]phenyl]-6-chloropyridine-2-carboxamide
CID 59420530
4-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 81229781
6-chloro-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-2-carboxamide
CID 62234899
N-(3-acetamido-4-methylphenyl)-6-chloropyridine-2-carboxamide
CID 62235289
6-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-2-carboxamide
CID 62234559
2-(aminomethyl)-N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66377436
N-[3-(carbamoylamino)phenyl]-6-chloropyridine-2-carboxamide
CID 62234924
6-chloro-N-(3-iodophenyl)pyridine-2-carboxamide
CID 55052347
6-chloro-N-[2-(dimethylamino)-2-methylpropyl]pyridine-2-carboxamide
CID 62234225

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-2-carboxamide (CID 62234186) is 6-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-2-carboxamide is CN(C)C(=O)c1ccc(NC(=O)c2cccc(Cl)n2)cc1.
What is the InChIKey of 6-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-2-carboxamide?
The InChIKey is ADBPGRDAJOYSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-19(2)15(21)10-6-8-11(9-7-10)17-14(20)12-4-3-5-13(16)18-12/h3-9H,1-2H3,(H,17,20).
What are the key properties of 6-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-2-carboxamide?
6-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-2-carboxamide has a molecular weight of 303.75 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 62234186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).