6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-3-carboxamide

C12H15BrN2O2 — CID 103279982

IUPAC6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCC1CCC(O)C1)c1ccc(Br)nc1
InChIInChI=1S/C12H15BrN2O2/c13-11-4-2-9(7-14-11)12(17)15-6-8-1-3-10(16)5-8/h2,4,7-8,10,16H,1,3,5-6H2,(H,15,17)
InChIKeyFFKVTCRXILEVPS-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.73
Rot. Bonds3

About 6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-3-carboxamide

6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-3-carboxamide (PubChem CID 103279982) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-3-carboxamide
PubChem CID103279982
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCC1CCC(O)C1)c1ccc(Br)nc1
InChIInChI=1S/C12H15BrN2O2/c13-11-4-2-9(7-14-11)12(17)15-6-8-1-3-10(16)5-8/h2,4,7-8,10,16H,1,3,5-6H2,(H,15,17)
InChIKeyFFKVTCRXILEVPS-UHFFFAOYSA-N
XLogP1.73
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(3-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide
CID 103691279
N-[(3-hydroxycyclopentyl)methyl]pyrimidine-5-carboxamide
CID 103280499
N-[(3-hydroxycyclopentyl)methyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 103279750
6-(dimethylamino)-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 103690739
6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-2-carboxamide
CID 103279976
3-bromo-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzamide
CID 103280557
3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103279934
N-[(3-hydroxycyclopentyl)methyl]-3,4-dimethoxybenzamide
CID 103280095
6-bromo-N-(2,2-dicyclopropylethyl)pyridine-3-carboxamide
CID 66462778
4-(carbamoylamino)-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103279882
N-[(3-chlorocyclopentyl)methyl]-6-methylpyridine-3-carboxamide
CID 106127191
2-(dimethylamino)-N-[(3-hydroxycyclopentyl)methyl]pyridine-4-carboxamide
CID 103280007

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-3-carboxamide (CID 103279982) is 6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-3-carboxamide is O=C(NCC1CCC(O)C1)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-3-carboxamide?
The InChIKey is FFKVTCRXILEVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c13-11-4-2-9(7-14-11)12(17)15-6-8-1-3-10(16)5-8/h2,4,7-8,10,16H,1,3,5-6H2,(H,15,17).
What are the key properties of 6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-3-carboxamide?
6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-3-carboxamide has a molecular weight of 299.17 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 103279982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).