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

C13H19BrN2O — CID 63837989

IUPAC5-bromo-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide
SMILESCCC(CC)C(C)NC(=O)c1ccc(Br)cn1
InChIInChI=1S/C13H19BrN2O/c1-4-10(5-2)9(3)16-13(17)12-7-6-11(14)8-15-12/h6-10H,4-5H2,1-3H3,(H,16,17)
InChIKeyBYDWDCCSNVABMN-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.40
Rot. Bonds5

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

5-bromo-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide (PubChem CID 63837989) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 5-bromo-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide
PubChem CID63837989
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name5-bromo-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide
SMILESCCC(CC)C(C)NC(=O)c1ccc(Br)cn1
InChIInChI=1S/C13H19BrN2O/c1-4-10(5-2)9(3)16-13(17)12-7-6-11(14)8-15-12/h6-10H,4-5H2,1-3H3,(H,16,17)
InChIKeyBYDWDCCSNVABMN-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-propan-2-ylpyridine-2-carboxamide
CID 26370111
5-amino-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide
CID 81317024
5-bromo-N-(1-chlorobutan-2-yl)pyridine-2-carboxamide
CID 114294391
5-bromo-N-pent-1-yn-3-ylpyridine-2-carboxamide
CID 103579168
5-bromo-N-heptan-2-ylpyridine-2-carboxamide
CID 55153825
4-bromo-N-(3-ethylpentan-2-yl)benzamide
CID 55260581
5-bromo-N-(2-methylbutyl)pyridine-2-carboxamide
CID 55210499
5-bromo-N-[1-(4-bromophenyl)propan-2-yl]pyridine-2-carboxamide
CID 62953884
5-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 62954039
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 55154383
5-bromo-N-(1-cyanoethyl)pyridine-2-carboxamide
CID 62959350
(2R)-2-[(5-bromopyridine-2-carbonyl)amino]pentanoic acid
CID 107562920

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide (CID 63837989) is 5-bromo-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide is CCC(CC)C(C)NC(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide?
The InChIKey is BYDWDCCSNVABMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-4-10(5-2)9(3)16-13(17)12-7-6-11(14)8-15-12/h6-10H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 5-bromo-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide?
5-bromo-N-(3-ethylpentan-2-yl)pyridine-2-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-(3-ethylpentan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 63837989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).