3-bromo-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide

C13H19BrN2O — CID 107519069

IUPAC3-bromo-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide
SMILESCCC(CC)(CC)NC(=O)c1ncccc1Br
InChIInChI=1S/C13H19BrN2O/c1-4-13(5-2,6-3)16-12(17)11-10(14)8-7-9-15-11/h7-9H,4-6H2,1-3H3,(H,16,17)
InChIKeyCDFNJSWKMKVKEX-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.54
Rot. Bonds5

About 3-bromo-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide

3-bromo-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide (PubChem CID 107519069) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 3-bromo-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide
PubChem CID107519069
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name3-bromo-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide
SMILESCCC(CC)(CC)NC(=O)c1ncccc1Br
InChIInChI=1S/C13H19BrN2O/c1-4-13(5-2,6-3)16-12(17)11-10(14)8-7-9-15-11/h7-9H,4-6H2,1-3H3,(H,16,17)
InChIKeyCDFNJSWKMKVKEX-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]pyridine-2-carboxamide
CID 107525349
3-[(3-bromopyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 107517143
3-bromo-N-ethoxypyridine-2-carboxamide
CID 107519636
3-bromo-N-(2-oxopropyl)pyridine-2-carboxamide
CID 107517564
3-bromo-N-pentylpyridine-2-carboxamide
CID 107517688
3-[(3-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 107517223
3-bromo-N-(3-hydroxy-2,2-dimethylpropyl)pyridine-2-carboxamide
CID 107519206
2-[(3-bromopyridine-2-carbonyl)amino]-2-cyclopropylpropanoic acid
CID 107516988
3-bromo-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519692
3-bromo-N-[(2S)-2-hydroxypropyl]pyridine-2-carboxamide
CID 107519736
3-bromo-N-[(2R)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519719
3-bromo-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
CID 107517764

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide (CID 107519069) is 3-bromo-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide is CCC(CC)(CC)NC(=O)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide?
The InChIKey is CDFNJSWKMKVKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-4-13(5-2,6-3)16-12(17)11-10(14)8-7-9-15-11/h7-9H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 3-bromo-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide?
3-bromo-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide has a molecular weight of 299.21 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 107519069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).