3-bromo-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide

C13H17BrN2O — CID 107518990

IUPAC3-bromo-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide
SMILESCN(CC1CCCC1)C(=O)c1ncccc1Br
InChIInChI=1S/C13H17BrN2O/c1-16(9-10-5-2-3-6-10)13(17)12-11(14)7-4-8-15-12/h4,7-8,10H,2-3,5-6,9H2,1H3
InChIKeyIYRACKVGMSWHQO-UHFFFAOYSA-N
MW297.20 g/mol
LogP3.11
Rot. Bonds3

About 3-bromo-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide

3-bromo-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide (PubChem CID 107518990) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 3-bromo-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide
PubChem CID107518990
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name3-bromo-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide
SMILESCN(CC1CCCC1)C(=O)c1ncccc1Br
InChIInChI=1S/C13H17BrN2O/c1-16(9-10-5-2-3-6-10)13(17)12-11(14)7-4-8-15-12/h4,7-8,10H,2-3,5-6,9H2,1H3
InChIKeyIYRACKVGMSWHQO-UHFFFAOYSA-N
XLogP3.11
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(cyclohexylmethyl)-N-methylpyridine-3-carboxamide
CID 103754238
2-bromo-N-(cyclobutylmethyl)-N-methylpyridine-3-carboxamide
CID 103752776
3-bromo-N-cyclopropyl-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide
CID 107520178
3-amino-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 104742327
3-bromo-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide
CID 107518946
3-bromo-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methylpyridine-2-carboxamide
CID 107518606
3-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridine-2-carboxamide
CID 104742495
(3-bromo-2-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
CID 107517939
3-hydroxy-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide
CID 79319888
3-bromo-N-methyl-N-pentan-3-ylpyridine-2-carboxamide
CID 107517936
N-(cyclohexylmethyl)-N,6-dimethylpyridine-3-carboxamide
CID 39975112
N-(2-adamantyl)-3-bromo-N-methylpyridine-2-carboxamide
CID 107518523

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide (CID 107518990) is 3-bromo-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide is CN(CC1CCCC1)C(=O)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide?
The InChIKey is IYRACKVGMSWHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-16(9-10-5-2-3-6-10)13(17)12-11(14)7-4-8-15-12/h4,7-8,10H,2-3,5-6,9H2,1H3.
What are the key properties of 3-bromo-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide?
3-bromo-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide has a molecular weight of 297.20 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 107518990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).