6-fluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyridine-2-carboxamide

C13H17FN2O2 — CID 115497967

IUPAC6-fluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCC1CCCC1CO)c1cccc(F)n1
InChIInChI=1S/C13H17FN2O2/c14-12-6-2-5-11(16-12)13(18)15-7-9-3-1-4-10(9)8-17/h2,5-6,9-10,17H,1,3-4,7-8H2,(H,15,18)
InChIKeyIMJUHJLQGIZNEX-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.36
Rot. Bonds4

About 6-fluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyridine-2-carboxamide

6-fluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyridine-2-carboxamide (PubChem CID 115497967) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 6-fluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyridine-2-carboxamide
PubChem CID115497967
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name6-fluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCC1CCCC1CO)c1cccc(F)n1
InChIInChI=1S/C13H17FN2O2/c14-12-6-2-5-11(16-12)13(18)15-7-9-3-1-4-10(9)8-17/h2,5-6,9-10,17H,1,3-4,7-8H2,(H,15,18)
InChIKeyIMJUHJLQGIZNEX-UHFFFAOYSA-N
XLogP1.36
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.36
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-(cyclopentylmethyl)-6-fluoropyridine-2-carboxamide
CID 115496783
6-fluoro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-2-carboxamide
CID 115497910
6-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-2-carboxamide
CID 107412464
6-fluoro-N-[(1-hydroxycyclobutyl)methyl]pyridine-2-carboxamide
CID 109389046
6-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide
CID 107417789
N-(3-amino-2-hydroxy-3-oxopropyl)-6-fluoropyridine-2-carboxamide
CID 106166087
2-[(6-fluoropyridine-2-carbonyl)amino]acetic acid
CID 115496286
6-bromo-N-[(2-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 113351463
6-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 113323631
6-fluoro-N-[2-(oxolan-2-yl)ethyl]pyridine-2-carboxamide
CID 115497544
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-fluoropyridine-2-carboxamide
CID 115497987
6-fluoro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 115497621

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyridine-2-carboxamide (CID 115497967) is 6-fluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyridine-2-carboxamide is O=C(NCC1CCCC1CO)c1cccc(F)n1.
What is the InChIKey of 6-fluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyridine-2-carboxamide?
The InChIKey is IMJUHJLQGIZNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-12-6-2-5-11(16-12)13(18)15-7-9-3-1-4-10(9)8-17/h2,5-6,9-10,17H,1,3-4,7-8H2,(H,15,18).
What are the key properties of 6-fluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyridine-2-carboxamide?
6-fluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyridine-2-carboxamide has a molecular weight of 252.29 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 115497967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).