5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide

C11H15BrN2O — CID 21352689

IUPAC5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
SMILESCC(C)CCNC(=O)c1cncc(Br)c1
InChIInChI=1S/C11H15BrN2O/c1-8(2)3-4-14-11(15)9-5-10(12)7-13-6-9/h5-8H,3-4H2,1-2H3,(H,14,15)
InChIKeyMUMAKJMDJZQRJY-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.62
Rot. Bonds4

About 5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide

5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide (PubChem CID 21352689) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
PubChem CID21352689
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
SMILESCC(C)CCNC(=O)c1cncc(Br)c1
InChIInChI=1S/C11H15BrN2O/c1-8(2)3-4-14-11(15)9-5-10(12)7-13-6-9/h5-8H,3-4H2,1-2H3,(H,14,15)
InChIKeyMUMAKJMDJZQRJY-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

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Related Compounds

4-[(5-bromopyridine-3-carbonyl)amino]-2-methylbutanoic acid
CID 80538521
5-[(5-bromopyridine-3-carbonyl)amino]-2-methylpentanoic acid
CID 104682071
5-bromo-N-(5-methylhexan-2-yl)pyridine-3-carboxamide
CID 60628143
5-N-(2-methoxyethyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide
CID 109103452
5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-3-carboxamide
CID 47165798
5-bromo-N-[3-(methylamino)propyl]pyridine-3-carboxamide
CID 43600789
5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 61150398
5-bromo-N-(3-bromo-2-methylpropyl)pyridine-3-carboxamide
CID 114313414
5-bromo-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-3-carboxamide
CID 66180153
3-N-(3-methylbutyl)-5-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106107
N-(3-aminopropyl)-5-bromopyridine-3-carboxamide;dihydrochloride
CID 119408157
5-bromo-N-[3-(diethylamino)propyl]pyridine-3-carboxamide
CID 60628479

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide (CID 21352689) is 5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide is CC(C)CCNC(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide?
The InChIKey is MUMAKJMDJZQRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-8(2)3-4-14-11(15)9-5-10(12)7-13-6-9/h5-8H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide?
5-bromo-N-(3-methylbutyl)pyridine-3-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 5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 21352689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).