5-bromo-N-propan-2-ylpyridine-2-carboxamide

C9H11BrN2O — CID 26370111

IUPAC5-bromo-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(Br)cn1
InChIInChI=1S/C9H11BrN2O/c1-6(2)12-9(13)8-4-3-7(10)5-11-8/h3-6H,1-2H3,(H,12,13)
InChIKeyOQBRIMFEDJWHMB-UHFFFAOYSA-N
MW243.10 g/mol
LogP1.98
Rot. Bonds2

About 5-bromo-N-propan-2-ylpyridine-2-carboxamide

5-bromo-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 26370111) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is 5-bromo-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-propan-2-ylpyridine-2-carboxamide
PubChem CID26370111
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name5-bromo-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(Br)cn1
InChIInChI=1S/C9H11BrN2O/c1-6(2)12-9(13)8-4-3-7(10)5-11-8/h3-6H,1-2H3,(H,12,13)
InChIKeyOQBRIMFEDJWHMB-UHFFFAOYSA-N
XLogP1.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 55154383
5-bromo-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide
CID 63837989
5-bromo-N-(1-cyanoethyl)pyridine-2-carboxamide
CID 62959350
1-(5-bromo-2-pyridinyl)-2-(methylamino)propan-1-one
CID 155973765
5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide
CID 112688688
5-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 62954039
5-bromo-N-[1-(4-bromophenyl)propan-2-yl]pyridine-2-carboxamide
CID 62953884
5-bromo-N-heptan-2-ylpyridine-2-carboxamide
CID 55153825
methyl 2-[(5-bromopyridine-2-carbonyl)amino]-3-hydroxypropanoate
CID 62959389
tert-butyl (2R)-2-[(5-bromopyridine-2-carbonyl)amino]-3-methylbutanoate
CID 80997627
5-bromo-N-(1-chlorobutan-2-yl)pyridine-2-carboxamide
CID 114294391
N-(4-amino-4-sulfanylidenebutan-2-yl)-5-bromopyridine-2-carboxamide
CID 62960438

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-propan-2-ylpyridine-2-carboxamide (CID 26370111) is 5-bromo-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-propan-2-ylpyridine-2-carboxamide is CC(C)NC(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is OQBRIMFEDJWHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c1-6(2)12-9(13)8-4-3-7(10)5-11-8/h3-6H,1-2H3,(H,12,13).
What are the key properties of 5-bromo-N-propan-2-ylpyridine-2-carboxamide?
5-bromo-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 243.10 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 26370111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).