3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-4-carboxamide

C12H15FN2O3 — CID 79039193

IUPAC3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-4-carboxamide
SMILESO=C(NCC1(O)CCOCC1)c1ccncc1F
InChIInChI=1S/C12H15FN2O3/c13-10-7-14-4-1-9(10)11(16)15-8-12(17)2-5-18-6-3-12/h1,4,7,17H,2-3,5-6,8H2,(H,15,16)
InChIKeyWGLGDMGTEVXYAN-UHFFFAOYSA-N
MW254.26 g/mol
LogP0.49
Rot. Bonds3

About 3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-4-carboxamide

3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-4-carboxamide (PubChem CID 79039193) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is 3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-4-carboxamide
PubChem CID79039193
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Name3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-4-carboxamide
SMILESO=C(NCC1(O)CCOCC1)c1ccncc1F
InChIInChI=1S/C12H15FN2O3/c13-10-7-14-4-1-9(10)11(16)15-8-12(17)2-5-18-6-3-12/h1,4,7,17H,2-3,5-6,8H2,(H,15,16)
InChIKeyWGLGDMGTEVXYAN-UHFFFAOYSA-N
XLogP0.49
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(chloromethyl)cyclohexyl]methyl]-3-fluoropyridine-4-carboxamide
CID 113359929
3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]pyridine-4-carboxamide
CID 115362736
2,4-dichloro-5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 79039031
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoropyridine-4-carboxamide
CID 114758967
N-[(4-hydroxyoxan-4-yl)methyl]pyrazine-2-carboxamide
CID 79039942
2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-(4-methylphenyl)benzamide
CID 111486212
2-fluoro-6-hydroxy-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 104919925
2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 71989539
4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylbenzamide
CID 112702691
2-bromo-4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 79039867
3-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 66483576
2-chloro-4,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103848658

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-4-carboxamide (CID 79039193) is 3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-4-carboxamide is O=C(NCC1(O)CCOCC1)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-4-carboxamide?
The InChIKey is WGLGDMGTEVXYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c13-10-7-14-4-1-9(10)11(16)15-8-12(17)2-5-18-6-3-12/h1,4,7,17H,2-3,5-6,8H2,(H,15,16).
What are the key properties of 3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-4-carboxamide?
3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-4-carboxamide has a molecular weight of 254.26 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 79039193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).