2-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide

C15H15BrN2O — CID 103752820

IUPAC2-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide
SMILESCCc1ccccc1CNC(=O)c1cccnc1Br
InChIInChI=1S/C15H15BrN2O/c1-2-11-6-3-4-7-12(11)10-18-15(19)13-8-5-9-17-14(13)16/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyKXEDZVZKQMMDOJ-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.34
Rot. Bonds4

About 2-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide

2-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 103752820) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 2-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide
PubChem CID103752820
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name2-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide
SMILESCCc1ccccc1CNC(=O)c1cccnc1Br
InChIInChI=1S/C15H15BrN2O/c1-2-11-6-3-4-7-12(11)10-18-15(19)13-8-5-9-17-14(13)16/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyKXEDZVZKQMMDOJ-UHFFFAOYSA-N
XLogP3.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
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-bromo-N-(quinolin-8-ylmethyl)pyridine-3-carboxamide
CID 103754998
2-bromo-N-[(5-ethylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 113255164
2-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 103754084
2-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 103752450
2-bromo-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide
CID 103755664
methyl 2-[(2-bromopyridine-3-carbonyl)amino]acetate
CID 103752231
2-bromo-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 103886003
2-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide
CID 103754489
2-amino-5-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide
CID 64694166
2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 103756187
2-bromo-N-(2-ethoxy-2-methylpropyl)pyridine-3-carboxamide
CID 105343028
2-bromo-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide
CID 103752335

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide (CID 103752820) is 2-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide is CCc1ccccc1CNC(=O)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is KXEDZVZKQMMDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-2-11-6-3-4-7-12(11)10-18-15(19)13-8-5-9-17-14(13)16/h3-9H,2,10H2,1H3,(H,18,19).
What are the key properties of 2-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide?
2-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 319.20 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 103752820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).