3-bromo-N-(3-methylcyclopentyl)pyridine-2-carboxamide

C12H15BrN2O — CID 107519432

IUPAC3-bromo-N-(3-methylcyclopentyl)pyridine-2-carboxamide
SMILESCC1CCC(NC(=O)c2ncccc2Br)C1
InChIInChI=1S/C12H15BrN2O/c1-8-4-5-9(7-8)15-12(16)11-10(13)3-2-6-14-11/h2-3,6,8-9H,4-5,7H2,1H3,(H,15,16)
InChIKeyKQIRBVDOZDIKSP-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.76
Rot. Bonds2

About 3-bromo-N-(3-methylcyclopentyl)pyridine-2-carboxamide

3-bromo-N-(3-methylcyclopentyl)pyridine-2-carboxamide (PubChem CID 107519432) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 3-bromo-N-(3-methylcyclopentyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(3-methylcyclopentyl)pyridine-2-carboxamide
PubChem CID107519432
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name3-bromo-N-(3-methylcyclopentyl)pyridine-2-carboxamide
SMILESCC1CCC(NC(=O)c2ncccc2Br)C1
InChIInChI=1S/C12H15BrN2O/c1-8-4-5-9(7-8)15-12(16)11-10(13)3-2-6-14-11/h2-3,6,8-9H,4-5,7H2,1H3,(H,15,16)
InChIKeyKQIRBVDOZDIKSP-UHFFFAOYSA-N
XLogP2.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 86274986
3-bromo-N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridine-2-carboxamide
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5-Bromo-N-methylpyridine-2-carboxamide
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1,7-Naphthyridin-8-ol
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N-benzylpyridine-2-carboxamide
CID 687032
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-methylcyclopentyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(3-methylcyclopentyl)pyridine-2-carboxamide (CID 107519432) is 3-bromo-N-(3-methylcyclopentyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(3-methylcyclopentyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(3-methylcyclopentyl)pyridine-2-carboxamide is CC1CCC(NC(=O)c2ncccc2Br)C1.
What is the InChIKey of 3-bromo-N-(3-methylcyclopentyl)pyridine-2-carboxamide?
The InChIKey is KQIRBVDOZDIKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-8-4-5-9(7-8)15-12(16)11-10(13)3-2-6-14-11/h2-3,6,8-9H,4-5,7H2,1H3,(H,15,16).
What are the key properties of 3-bromo-N-(3-methylcyclopentyl)pyridine-2-carboxamide?
3-bromo-N-(3-methylcyclopentyl)pyridine-2-carboxamide has a molecular weight of 283.17 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-methylcyclopentyl)pyridine-2-carboxamide is sourced from PubChem (CID 107519432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).