6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-2-carboxamide

C12H15BrN2O2 — CID 103279976

IUPAC6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-2-carboxamide
SMILESO=C(NCC1CCC(O)C1)c1cccc(Br)n1
InChIInChI=1S/C12H15BrN2O2/c13-11-3-1-2-10(15-11)12(17)14-7-8-4-5-9(16)6-8/h1-3,8-9,16H,4-7H2,(H,14,17)
InChIKeyBMGSPSIVSKNLBU-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.73
Rot. Bonds3

About 6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-2-carboxamide

6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-2-carboxamide (PubChem CID 103279976) 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-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-2-carboxamide
PubChem CID103279976
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-2-carboxamide
SMILESO=C(NCC1CCC(O)C1)c1cccc(Br)n1
InChIInChI=1S/C12H15BrN2O2/c13-11-3-1-2-10(15-11)12(17)14-7-8-4-5-9(16)6-8/h1-3,8-9,16H,4-7H2,(H,14,17)
InChIKeyBMGSPSIVSKNLBU-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

6-bromo-N-(thian-4-ylmethyl)pyridine-2-carboxamide
CID 103889926
6-bromo-N-[(2-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 113351463
6-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 103916767
N-[(3-hydroxycyclopentyl)methyl]quinoxaline-2-carboxamide
CID 103280180
6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-3-carboxamide
CID 103279982
6-chloro-N-[(3-hydroxycyclopentyl)methyl]pyridazine-3-carboxamide
CID 106120095
N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 111460504
N-[(3-hydroxycyclopentyl)methyl]-2,6-dimethoxybenzamide
CID 103280759
6-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-2-carboxamide
CID 107412464
N-[(3-hydroxycyclopentyl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 103280451
6-bromo-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide
CID 103916993
N-[(3-hydroxycyclopentyl)methyl]-1H-indole-3-carboxamide
CID 103280554

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-2-carboxamide (CID 103279976) is 6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-2-carboxamide is O=C(NCC1CCC(O)C1)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-2-carboxamide?
The InChIKey is BMGSPSIVSKNLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c13-11-3-1-2-10(15-11)12(17)14-7-8-4-5-9(16)6-8/h1-3,8-9,16H,4-7H2,(H,14,17).
What are the key properties of 6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-2-carboxamide?
6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-2-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-2-carboxamide is sourced from PubChem (CID 103279976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).