5-bromo-N-(5-methylhexan-2-yl)pyridine-3-carboxamide

C13H19BrN2O — CID 60628143

IUPAC5-bromo-N-(5-methylhexan-2-yl)pyridine-3-carboxamide
SMILESCC(C)CCC(C)NC(=O)c1cncc(Br)c1
InChIInChI=1S/C13H19BrN2O/c1-9(2)4-5-10(3)16-13(17)11-6-12(14)8-15-7-11/h6-10H,4-5H2,1-3H3,(H,16,17)
InChIKeyVOPKCZDVEXTTQP-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.40
Rot. Bonds5

About 5-bromo-N-(5-methylhexan-2-yl)pyridine-3-carboxamide

5-bromo-N-(5-methylhexan-2-yl)pyridine-3-carboxamide (PubChem CID 60628143) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 5-bromo-N-(5-methylhexan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(5-methylhexan-2-yl)pyridine-3-carboxamide
PubChem CID60628143
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name5-bromo-N-(5-methylhexan-2-yl)pyridine-3-carboxamide
SMILESCC(C)CCC(C)NC(=O)c1cncc(Br)c1
InChIInChI=1S/C13H19BrN2O/c1-9(2)4-5-10(3)16-13(17)11-6-12(14)8-15-7-11/h6-10H,4-5H2,1-3H3,(H,16,17)
InChIKeyVOPKCZDVEXTTQP-UHFFFAOYSA-N
XLogP3.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide
CID 115636073
5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 21352689
(2R)-2-[(5-bromopyridine-3-carbonyl)amino]propanoic acid
CID 28979301
5-bromo-N-(3-hydroxybutan-2-yl)pyridine-3-carboxamide
CID 131048375
2-[(5-bromopyridine-3-carbonyl)amino]pentanoic acid
CID 43630361
N-(1-amino-3-methylbutan-2-yl)-5-bromopyridine-3-carboxamide
CID 65191624
5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 8750450
5-bromo-N-[1-(2-methylphenyl)propan-2-yl]pyridine-3-carboxamide
CID 47296504
5-bromo-N-[(2R)-1-(furan-3-yl)propan-2-yl]pyridine-3-carboxamide
CID 97030221
5-bromo-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]pyridine-3-carboxamide
CID 113407759
(2R)-2-[(5-bromopyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 28979295
(2R,3S)-2-[(5-bromopyridine-3-carbonyl)amino]-3-methylpentanoic acid
CID 28979309

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-methylhexan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(5-methylhexan-2-yl)pyridine-3-carboxamide (CID 60628143) is 5-bromo-N-(5-methylhexan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(5-methylhexan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(5-methylhexan-2-yl)pyridine-3-carboxamide is CC(C)CCC(C)NC(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(5-methylhexan-2-yl)pyridine-3-carboxamide?
The InChIKey is VOPKCZDVEXTTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-9(2)4-5-10(3)16-13(17)11-6-12(14)8-15-7-11/h6-10H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 5-bromo-N-(5-methylhexan-2-yl)pyridine-3-carboxamide?
5-bromo-N-(5-methylhexan-2-yl)pyridine-3-carboxamide has a molecular weight of 299.21 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-methylhexan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 60628143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).