2-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide

C13H17FN2O2 — CID 103690727

IUPAC2-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCC1CCCC(O)C1)c1ccnc(F)c1
InChIInChI=1S/C13H17FN2O2/c14-12-7-10(4-5-15-12)13(18)16-8-9-2-1-3-11(17)6-9/h4-5,7,9,11,17H,1-3,6,8H2,(H,16,18)
InChIKeyILZPRSZYBQDMSD-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.50
Rot. Bonds3

About 2-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide

2-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide (PubChem CID 103690727) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
PubChem CID103690727
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name2-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCC1CCCC(O)C1)c1ccnc(F)c1
InChIInChI=1S/C13H17FN2O2/c14-12-7-10(4-5-15-12)13(18)16-8-9-2-1-3-11(17)6-9/h4-5,7,9,11,17H,1-3,6,8H2,(H,16,18)
InChIKeyILZPRSZYBQDMSD-UHFFFAOYSA-N
XLogP1.50
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.50
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

2-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107412485
3,4-dihydroxy-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103957239
2-fluoro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide
CID 55011733
N-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide
CID 103690977
2-(dimethylamino)-N-[(3-hydroxycyclopentyl)methyl]pyridine-4-carboxamide
CID 103280007
2-fluoro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 55014520
N-[(3-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide
CID 103691279
2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 103691065
4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691136
N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 111460504
3-(chloromethyl)-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 106127994
3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103279934

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide (CID 103690727) is 2-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide is O=C(NCC1CCCC(O)C1)c1ccnc(F)c1.
What is the InChIKey of 2-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide?
The InChIKey is ILZPRSZYBQDMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-12-7-10(4-5-15-12)13(18)16-8-9-2-1-3-11(17)6-9/h4-5,7,9,11,17H,1-3,6,8H2,(H,16,18).
What are the key properties of 2-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide?
2-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide has a molecular weight of 252.29 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 103690727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).