6-bromo-N-[4-(ethylcarbamoyl)phenyl]pyridine-2-carboxamide

C15H14BrN3O2 — CID 103875193

IUPAC6-bromo-N-[4-(ethylcarbamoyl)phenyl]pyridine-2-carboxamide
SMILESCCNC(=O)c1ccc(NC(=O)c2cccc(Br)n2)cc1
InChIInChI=1S/C15H14BrN3O2/c1-2-17-14(20)10-6-8-11(9-7-10)18-15(21)12-4-3-5-13(16)19-12/h3-9H,2H2,1H3,(H,17,20)(H,18,21)
InChIKeyVVQJUJNTQUGCLA-UHFFFAOYSA-N
MW348.20 g/mol
LogP2.85
Rot. Bonds4

About 6-bromo-N-[4-(ethylcarbamoyl)phenyl]pyridine-2-carboxamide

6-bromo-N-[4-(ethylcarbamoyl)phenyl]pyridine-2-carboxamide (PubChem CID 103875193) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 6-bromo-N-[4-(ethylcarbamoyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[4-(ethylcarbamoyl)phenyl]pyridine-2-carboxamide
PubChem CID103875193
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name6-bromo-N-[4-(ethylcarbamoyl)phenyl]pyridine-2-carboxamide
SMILESCCNC(=O)c1ccc(NC(=O)c2cccc(Br)n2)cc1
InChIInChI=1S/C15H14BrN3O2/c1-2-17-14(20)10-6-8-11(9-7-10)18-15(21)12-4-3-5-13(16)19-12/h3-9H,2H2,1H3,(H,17,20)(H,18,21)
InChIKeyVVQJUJNTQUGCLA-UHFFFAOYSA-N
XLogP2.85
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.85
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-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 103874040
6-bromo-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 113343282
4-benzamido-N-ethylbenzamide
CID 17153265
6-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 103874038
6-bromo-N-[6-(diethylamino)-3-pyridinyl]pyridine-2-carboxamide
CID 103910107
N-ethyl-4-[(4-methoxybenzoyl)amino]benzamide
CID 17234279
6-bromo-N-[4-[4-(prop-2-enoylamino)pent-4-en-2-ylcarbamoyl]phenyl]pyridine-2-carboxamide
CID 166841000
N-ethyl-4-(phenylcarbamoylamino)benzamide
CID 17234281
[4-(ethylcarbamoyl)phenyl]carbamic acid;propane
CID 142227182
6-bromo-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 103874074
5-ethyl-N-[4-(ethylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide
CID 78901950
N-ethyl-4-[(4-methylsulfanylbenzoyl)amino]benzamide
CID 78892378

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[4-(ethylcarbamoyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-[4-(ethylcarbamoyl)phenyl]pyridine-2-carboxamide (CID 103875193) is 6-bromo-N-[4-(ethylcarbamoyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[4-(ethylcarbamoyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[4-(ethylcarbamoyl)phenyl]pyridine-2-carboxamide is CCNC(=O)c1ccc(NC(=O)c2cccc(Br)n2)cc1.
What is the InChIKey of 6-bromo-N-[4-(ethylcarbamoyl)phenyl]pyridine-2-carboxamide?
The InChIKey is VVQJUJNTQUGCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c1-2-17-14(20)10-6-8-11(9-7-10)18-15(21)12-4-3-5-13(16)19-12/h3-9H,2H2,1H3,(H,17,20)(H,18,21).
What are the key properties of 6-bromo-N-[4-(ethylcarbamoyl)phenyl]pyridine-2-carboxamide?
6-bromo-N-[4-(ethylcarbamoyl)phenyl]pyridine-2-carboxamide has a molecular weight of 348.20 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[4-(ethylcarbamoyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 103875193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).