2-fluoro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

C12H10FN3O — CID 107358424

IUPAC2-fluoro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1cccnc1F
InChIInChI=1S/C12H10FN3O/c13-11-10(4-2-6-15-11)12(17)16-8-9-3-1-5-14-7-9/h1-7H,8H2,(H,16,17)
InChIKeyKPXUPWAPKOHNMS-UHFFFAOYSA-N
MW231.23 g/mol
LogP1.55
Rot. Bonds3

About 2-fluoro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

2-fluoro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 107358424) has the molecular formula C12H10FN3O and a molecular weight of 231.23 g/mol. Its IUPAC name is 2-fluoro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID107358424
Molecular FormulaC12H10FN3O
Molecular Weight231.23 g/mol
Exact Mass231.08
IUPAC Name2-fluoro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1cccnc1F
InChIInChI=1S/C12H10FN3O/c13-11-10(4-2-6-15-11)12(17)16-8-9-3-1-5-14-7-9/h1-7H,8H2,(H,16,17)
InChIKeyKPXUPWAPKOHNMS-UHFFFAOYSA-N
XLogP1.55
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 51.55
H-Bond Donors ≤ 51
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-(pyridin-3-ylmethyl)benzamide
CID 741479
2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 4244473
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
2-(pyridin-3-ylmethylcarbamoyl)pyridine-3-carboxylic acid
CID 19154891
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
2-fluoro-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 107358701
2-fluoro-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzamide
CID 79883496
2-[(4-fluorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
CID 8851794
5-amino-2,4-difluoro-N-(pyridin-3-ylmethyl)benzamide
CID 61095317
2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62509197
5-amino-2-fluoro-3-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103295849

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-fluoro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 107358424) is 2-fluoro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-fluoro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is O=C(NCc1cccnc1)c1cccnc1F.
What is the InChIKey of 2-fluoro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is KPXUPWAPKOHNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O/c13-11-10(4-2-6-15-11)12(17)16-8-9-3-1-5-14-7-9/h1-7H,8H2,(H,16,17).
What are the key properties of 2-fluoro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
2-fluoro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 231.23 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 107358424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).