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

C14H12BrN3O2 — CID 66462709

IUPAC6-bromo-N-[2-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESCNC(=O)c1ccccc1NC(=O)c1ccc(Br)nc1
InChIInChI=1S/C14H12BrN3O2/c1-16-14(20)10-4-2-3-5-11(10)18-13(19)9-6-7-12(15)17-8-9/h2-8H,1H3,(H,16,20)(H,18,19)
InChIKeyZGGDBYMVOZVSAZ-UHFFFAOYSA-N
MW334.17 g/mol
LogP2.46
Rot. Bonds3

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

6-bromo-N-[2-(methylcarbamoyl)phenyl]pyridine-3-carboxamide (PubChem CID 66462709) has the molecular formula C14H12BrN3O2 and a molecular weight of 334.17 g/mol. Its IUPAC name is 6-bromo-N-[2-(methylcarbamoyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[2-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
PubChem CID66462709
Molecular FormulaC14H12BrN3O2
Molecular Weight334.17 g/mol
Exact Mass333.01
IUPAC Name6-bromo-N-[2-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESCNC(=O)c1ccccc1NC(=O)c1ccc(Br)nc1
InChIInChI=1S/C14H12BrN3O2/c1-16-14(20)10-4-2-3-5-11(10)18-13(19)9-6-7-12(15)17-8-9/h2-8H,1H3,(H,16,20)(H,18,19)
InChIKeyZGGDBYMVOZVSAZ-UHFFFAOYSA-N
XLogP2.46
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 52.46
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-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide
CID 66462324
6-bromo-N-(2-iodophenyl)pyridine-3-carboxamide
CID 66465043
6-bromo-N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 66463109
N-(2-anilinophenyl)-6-bromopyridine-3-carboxamide
CID 89461171
6-bromo-N-[2-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
CID 66464873
methyl 4-[[2-(methylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178306
6-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-3-carboxamide
CID 66464448
6-bromo-N-[3-bromo-2-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 66463924
2-amino-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 43402957
2-[(6-bromopyridine-3-carbonyl)amino]-5-fluorobenzoic acid
CID 66468619
6-bromo-N-quinolin-8-ylpyridine-3-carboxamide
CID 66463068
5-amino-N-[2-(methylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 81316970

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(methylcarbamoyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-[2-(methylcarbamoyl)phenyl]pyridine-3-carboxamide (CID 66462709) is 6-bromo-N-[2-(methylcarbamoyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[2-(methylcarbamoyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-[2-(methylcarbamoyl)phenyl]pyridine-3-carboxamide is CNC(=O)c1ccccc1NC(=O)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-[2-(methylcarbamoyl)phenyl]pyridine-3-carboxamide?
The InChIKey is ZGGDBYMVOZVSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2/c1-16-14(20)10-4-2-3-5-11(10)18-13(19)9-6-7-12(15)17-8-9/h2-8H,1H3,(H,16,20)(H,18,19).
What are the key properties of 6-bromo-N-[2-(methylcarbamoyl)phenyl]pyridine-3-carboxamide?
6-bromo-N-[2-(methylcarbamoyl)phenyl]pyridine-3-carboxamide has a molecular weight of 334.17 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(methylcarbamoyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 66462709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).