6-bromo-N-(1-phenylethyl)pyridine-2-carboxamide

C14H13BrN2O — CID 103874025

IUPAC6-bromo-N-(1-phenylethyl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1cccc(Br)n1)c1ccccc1
InChIInChI=1S/C14H13BrN2O/c1-10(11-6-3-2-4-7-11)16-14(18)12-8-5-9-13(15)17-12/h2-10H,1H3,(H,16,18)
InChIKeyWJMQEPLAIDLBME-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.34
Rot. Bonds3

About 6-bromo-N-(1-phenylethyl)pyridine-2-carboxamide

6-bromo-N-(1-phenylethyl)pyridine-2-carboxamide (PubChem CID 103874025) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is 6-bromo-N-(1-phenylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(1-phenylethyl)pyridine-2-carboxamide
PubChem CID103874025
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC Name6-bromo-N-(1-phenylethyl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1cccc(Br)n1)c1ccccc1
InChIInChI=1S/C14H13BrN2O/c1-10(11-6-3-2-4-7-11)16-14(18)12-8-5-9-13(15)17-12/h2-10H,1H3,(H,16,18)
InChIKeyWJMQEPLAIDLBME-UHFFFAOYSA-N
XLogP3.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
6-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 18668624
6-(dimethylamino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 84575144
6-bromo-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide
CID 103874262
5-bromo-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 112520266
2-N-cyclopentyl-6-N-(1-phenylethyl)pyridine-2,6-dicarboxamide
CID 109094954
2-N,6-N-bis[1-(4-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide
CID 46430353
2-N,6-N-bis[2-[[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]carbamoyl]phenyl]pyridine-2,6-dicarboxamide
CID 102216654
2-(3-bromoanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304953
2-(1-aminoethyl)-N-[(1S)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 66388213
5-methoxy-N-[(1S)-1-phenylethyl]quinoline-2-carboxamide
CID 11312803
5-bromo-N-[(1S)-1-phenylethyl]pyrimidine-2-carboxamide
CID 146610246

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1-phenylethyl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-(1-phenylethyl)pyridine-2-carboxamide (CID 103874025) is 6-bromo-N-(1-phenylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(1-phenylethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(1-phenylethyl)pyridine-2-carboxamide is CC(NC(=O)c1cccc(Br)n1)c1ccccc1.
What is the InChIKey of 6-bromo-N-(1-phenylethyl)pyridine-2-carboxamide?
The InChIKey is WJMQEPLAIDLBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c1-10(11-6-3-2-4-7-11)16-14(18)12-8-5-9-13(15)17-12/h2-10H,1H3,(H,16,18).
What are the key properties of 6-bromo-N-(1-phenylethyl)pyridine-2-carboxamide?
6-bromo-N-(1-phenylethyl)pyridine-2-carboxamide has a molecular weight of 305.18 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1-phenylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 103874025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).