4-cyano-N-(5-fluoro-2-pyridinyl)-6-(hydroxymethyl)pyridine-2-carboxamide

C13H9FN4O2 — CID 46899268

IUPAC4-cyano-N-(5-fluoro-2-pyridinyl)-6-(hydroxymethyl)pyridine-2-carboxamide
SMILESN#Cc1cc(CO)nc(C(=O)Nc2ccc(F)cn2)c1
InChIInChI=1S/C13H9FN4O2/c14-9-1-2-12(16-6-9)18-13(20)11-4-8(5-15)3-10(7-19)17-11/h1-4,6,19H,7H2,(H,16,18,20)
InChIKeyVXUYBNZKZUBWAV-UHFFFAOYSA-N
MW272.24 g/mol
LogP1.23
Rot. Bonds3

About 4-cyano-N-(5-fluoro-2-pyridinyl)-6-(hydroxymethyl)pyridine-2-carboxamide

4-cyano-N-(5-fluoro-2-pyridinyl)-6-(hydroxymethyl)pyridine-2-carboxamide (PubChem CID 46899268) has the molecular formula C13H9FN4O2 and a molecular weight of 272.24 g/mol. Its IUPAC name is 4-cyano-N-(5-fluoro-2-pyridinyl)-6-(hydroxymethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-(5-fluoro-2-pyridinyl)-6-(hydroxymethyl)pyridine-2-carboxamide
PubChem CID46899268
Molecular FormulaC13H9FN4O2
Molecular Weight272.24 g/mol
Exact Mass272.07
IUPAC Name4-cyano-N-(5-fluoro-2-pyridinyl)-6-(hydroxymethyl)pyridine-2-carboxamide
SMILESN#Cc1cc(CO)nc(C(=O)Nc2ccc(F)cn2)c1
InChIInChI=1S/C13H9FN4O2/c14-9-1-2-12(16-6-9)18-13(20)11-4-8(5-15)3-10(7-19)17-11/h1-4,6,19H,7H2,(H,16,18,20)
InChIKeyVXUYBNZKZUBWAV-UHFFFAOYSA-N
XLogP1.23
TPSA98.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(5-fluoro-2-pyridinyl)-6-(hydroxymethyl)pyridine-2-carboxamide?
The IUPAC name of 4-cyano-N-(5-fluoro-2-pyridinyl)-6-(hydroxymethyl)pyridine-2-carboxamide (CID 46899268) is 4-cyano-N-(5-fluoro-2-pyridinyl)-6-(hydroxymethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-cyano-N-(5-fluoro-2-pyridinyl)-6-(hydroxymethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-cyano-N-(5-fluoro-2-pyridinyl)-6-(hydroxymethyl)pyridine-2-carboxamide is N#Cc1cc(CO)nc(C(=O)Nc2ccc(F)cn2)c1.
What is the InChIKey of 4-cyano-N-(5-fluoro-2-pyridinyl)-6-(hydroxymethyl)pyridine-2-carboxamide?
The InChIKey is VXUYBNZKZUBWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O2/c14-9-1-2-12(16-6-9)18-13(20)11-4-8(5-15)3-10(7-19)17-11/h1-4,6,19H,7H2,(H,16,18,20).
What are the key properties of 4-cyano-N-(5-fluoro-2-pyridinyl)-6-(hydroxymethyl)pyridine-2-carboxamide?
4-cyano-N-(5-fluoro-2-pyridinyl)-6-(hydroxymethyl)pyridine-2-carboxamide has a molecular weight of 272.24 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(5-fluoro-2-pyridinyl)-6-(hydroxymethyl)pyridine-2-carboxamide is sourced from PubChem (CID 46899268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).