6-bromo-N-(3-methylbutyl)pyridine-2-carboxamide

C11H15BrN2O — CID 21352691

IUPAC6-bromo-N-(3-methylbutyl)pyridine-2-carboxamide
SMILESCC(C)CCNC(=O)c1cccc(Br)n1
InChIInChI=1S/C11H15BrN2O/c1-8(2)6-7-13-11(15)9-4-3-5-10(12)14-9/h3-5,8H,6-7H2,1-2H3,(H,13,15)
InChIKeyFMJHWMNXJVHSAK-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.62
Rot. Bonds4

About 6-bromo-N-(3-methylbutyl)pyridine-2-carboxamide

6-bromo-N-(3-methylbutyl)pyridine-2-carboxamide (PubChem CID 21352691) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 6-bromo-N-(3-methylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(3-methylbutyl)pyridine-2-carboxamide
PubChem CID21352691
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name6-bromo-N-(3-methylbutyl)pyridine-2-carboxamide
SMILESCC(C)CCNC(=O)c1cccc(Br)n1
InChIInChI=1S/C11H15BrN2O/c1-8(2)6-7-13-11(15)9-4-3-5-10(12)14-9/h3-5,8H,6-7H2,1-2H3,(H,13,15)
InChIKeyFMJHWMNXJVHSAK-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
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

6-bromo-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide
CID 103916813
6-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide
CID 103917004
6-bromo-N-(3,3-dimethylbutyl)pyridine-2-carboxamide
CID 103889719
6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 113351414
2-N-[3-(dimethylamino)propyl]-6-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
CID 109096551
methyl 3-[(6-bromopyridine-2-carbonyl)amino]propanoate
CID 18918524
6-bromo-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide
CID 103916694
5-[(6-bromopyridine-2-carbonyl)amino]-4-methylpentanoic acid
CID 114037558
4-[(6-bromopyridine-2-carbonyl)amino]butanoic acid
CID 19966484
6-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 18668624
6-bromo-N-(2-cyanopropyl)pyridine-2-carboxamide
CID 103875341
6-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2-carboxamide
CID 103875259

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-methylbutyl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-(3-methylbutyl)pyridine-2-carboxamide (CID 21352691) is 6-bromo-N-(3-methylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(3-methylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(3-methylbutyl)pyridine-2-carboxamide is CC(C)CCNC(=O)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-(3-methylbutyl)pyridine-2-carboxamide?
The InChIKey is FMJHWMNXJVHSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-8(2)6-7-13-11(15)9-4-3-5-10(12)14-9/h3-5,8H,6-7H2,1-2H3,(H,13,15).
What are the key properties of 6-bromo-N-(3-methylbutyl)pyridine-2-carboxamide?
6-bromo-N-(3-methylbutyl)pyridine-2-carboxamide has a molecular weight of 271.16 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-methylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 21352691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).