2-fluoro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide

C12H15FN2O2 — CID 55014520

IUPAC2-fluoro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCC1CCCCO1)c1ccnc(F)c1
InChIInChI=1S/C12H15FN2O2/c13-11-7-9(4-5-14-11)12(16)15-8-10-3-1-2-6-17-10/h4-5,7,10H,1-3,6,8H2,(H,15,16)
InChIKeyCORQRCBFTPVVDW-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.52
Rot. Bonds3

About 2-fluoro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide

2-fluoro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 55014520) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-fluoro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
PubChem CID55014520
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name2-fluoro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCC1CCCCO1)c1ccnc(F)c1
InChIInChI=1S/C12H15FN2O2/c13-11-7-9(4-5-14-11)12(16)15-8-10-3-1-2-6-17-10/h4-5,7,10H,1-3,6,8H2,(H,15,16)
InChIKeyCORQRCBFTPVVDW-UHFFFAOYSA-N
XLogP1.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-fluoro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydrazinyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 62237538
2-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 61435800
2-fluoro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide
CID 55011733
4-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide
CID 55103122
6-fluoro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 63972348
methyl N-[[4-(oxolan-2-ylmethylcarbamoyl)-2-pyridinyl]methyl]carbamate
CID 112520355
2-N-(3-chloro-4-fluorophenyl)-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083201
3-amino-N-(oxan-2-ylmethyl)benzamide
CID 55013985
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
2-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 103690727
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-fluoropyridine-4-carboxamide
CID 61293120
3,5-difluoro-4-(methylamino)-N-(oxan-2-ylmethyl)benzamide
CID 63185334

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide (CID 55014520) is 2-fluoro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide is O=C(NCC1CCCCO1)c1ccnc(F)c1.
What is the InChIKey of 2-fluoro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is CORQRCBFTPVVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-11-7-9(4-5-14-11)12(16)15-8-10-3-1-2-6-17-10/h4-5,7,10H,1-3,6,8H2,(H,15,16).
What are the key properties of 2-fluoro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide?
2-fluoro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 238.26 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 55014520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).