2-bromo-N-pentan-3-ylpyridine-4-carboxamide

C11H15BrN2O — CID 103751828

IUPAC2-bromo-N-pentan-3-ylpyridine-4-carboxamide
SMILESCCC(CC)NC(=O)c1ccnc(Br)c1
InChIInChI=1S/C11H15BrN2O/c1-3-9(4-2)14-11(15)8-5-6-13-10(12)7-8/h5-7,9H,3-4H2,1-2H3,(H,14,15)
InChIKeyODELAIYDNNFSCL-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.76
Rot. Bonds4

About 2-bromo-N-pentan-3-ylpyridine-4-carboxamide

2-bromo-N-pentan-3-ylpyridine-4-carboxamide (PubChem CID 103751828) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 2-bromo-N-pentan-3-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-pentan-3-ylpyridine-4-carboxamide
PubChem CID103751828
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name2-bromo-N-pentan-3-ylpyridine-4-carboxamide
SMILESCCC(CC)NC(=O)c1ccnc(Br)c1
InChIInChI=1S/C11H15BrN2O/c1-3-9(4-2)14-11(15)8-5-6-13-10(12)7-8/h5-7,9H,3-4H2,1-2H3,(H,14,15)
InChIKeyODELAIYDNNFSCL-UHFFFAOYSA-N
XLogP2.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.76
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-butan-2-ylpyridine-4-carboxamide
CID 103751691
(2R)-2-[(2-bromopyridine-4-carbonyl)amino]butanoic acid
CID 103804471
N-pentan-3-ylpyridine-4-carboxamide
CID 137320352
N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-4-carboxamide
CID 106753467
(2S)-2-[(2-bromopyridine-4-carbonyl)amino]butanedioic acid
CID 114037388
2-bromo-N-hexylpyridine-4-carboxamide
CID 103752172
2-bromo-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
CID 103772020
2-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-4-carboxamide
CID 103754299
2-bromo-N-(4-ethylphenyl)pyridine-4-carboxamide
CID 113255068
2-bromo-N-(4-ethyl-1H-pyrazol-5-yl)pyridine-4-carboxamide
CID 113258806
2-bromo-N-[1-(2,6-difluorophenyl)ethyl]pyridine-4-carboxamide
CID 103754324
2-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 103752713

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-pentan-3-ylpyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-pentan-3-ylpyridine-4-carboxamide (CID 103751828) is 2-bromo-N-pentan-3-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-pentan-3-ylpyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-pentan-3-ylpyridine-4-carboxamide is CCC(CC)NC(=O)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-pentan-3-ylpyridine-4-carboxamide?
The InChIKey is ODELAIYDNNFSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-3-9(4-2)14-11(15)8-5-6-13-10(12)7-8/h5-7,9H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 2-bromo-N-pentan-3-ylpyridine-4-carboxamide?
2-bromo-N-pentan-3-ylpyridine-4-carboxamide has a molecular weight of 271.16 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-pentan-3-ylpyridine-4-carboxamide is sourced from PubChem (CID 103751828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).