3-fluoro-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide

C12H15FN2O2 — CID 64950714

IUPAC3-fluoro-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide
SMILESO=C(NC1CCCCC1O)c1ccncc1F
InChIInChI=1S/C12H15FN2O2/c13-9-7-14-6-5-8(9)12(17)15-10-3-1-2-4-11(10)16/h5-7,10-11,16H,1-4H2,(H,15,17)
InChIKeyVBLCBVPHSLRXPD-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.25
Rot. Bonds2

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

3-fluoro-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide (PubChem CID 64950714) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 3-fluoro-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide
PubChem CID64950714
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name3-fluoro-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide
SMILESO=C(NC1CCCCC1O)c1ccncc1F
InChIInChI=1S/C12H15FN2O2/c13-9-7-14-6-5-8(9)12(17)15-10-3-1-2-4-11(10)16/h5-7,10-11,16H,1-4H2,(H,15,17)
InChIKeyVBLCBVPHSLRXPD-UHFFFAOYSA-N
XLogP1.25
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide
CID 115645871
N-cyclohexyl-3-fluoropyridine-4-carboxamide
CID 64950507
3-fluoro-N-(2-fluorooxan-3-yl)pyridine-4-carboxamide
CID 126857124
N-[(1R,2R)-2-hydroxycyclohexyl]-3-methoxypyridine-4-carboxamide
CID 102739207
3-fluoro-N-(2-methylcyclopropyl)pyridine-4-carboxamide
CID 115646459
3-fluoro-N-(4-hydroxycyclohexyl)pyridine-4-carboxamide
CID 64950701
3-(ethylamino)-N-(2-hydroxycycloheptyl)pyridine-4-carboxamide
CID 105071069
3-(3-aminoprop-1-ynyl)-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide
CID 66482908
N-(4-aminocyclohexyl)-3-fluoropyridine-4-carboxamide
CID 64950869
3-fluoro-N-piperidin-4-ylpyridine-4-carboxamide;dihydrochloride
CID 117073389
N-(1,1-dioxothian-4-yl)-3-fluoropyridine-4-carboxamide
CID 115646668
3-[(3-fluoropyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64951456

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide (CID 64950714) is 3-fluoro-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide is O=C(NC1CCCCC1O)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide?
The InChIKey is VBLCBVPHSLRXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-9-7-14-6-5-8(9)12(17)15-10-3-1-2-4-11(10)16/h5-7,10-11,16H,1-4H2,(H,15,17).
What are the key properties of 3-fluoro-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide?
3-fluoro-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide has a molecular weight of 238.26 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide is sourced from PubChem (CID 64950714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).