3-fluoro-N-(2-imidazol-1-ylethyl)pyridine-4-carboxamide

C11H11FN4O — CID 115645510

IUPAC3-fluoro-N-(2-imidazol-1-ylethyl)pyridine-4-carboxamide
SMILESO=C(NCCn1ccnc1)c1ccncc1F
InChIInChI=1S/C11H11FN4O/c12-10-7-13-2-1-9(10)11(17)15-4-6-16-5-3-14-8-16/h1-3,5,7-8H,4,6H2,(H,15,17)
InChIKeyLHEIWJNJEWYWFG-UHFFFAOYSA-N
MW234.23 g/mol
LogP0.85
Rot. Bonds4

About 3-fluoro-N-(2-imidazol-1-ylethyl)pyridine-4-carboxamide

3-fluoro-N-(2-imidazol-1-ylethyl)pyridine-4-carboxamide (PubChem CID 115645510) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is 3-fluoro-N-(2-imidazol-1-ylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(2-imidazol-1-ylethyl)pyridine-4-carboxamide
PubChem CID115645510
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC Name3-fluoro-N-(2-imidazol-1-ylethyl)pyridine-4-carboxamide
SMILESO=C(NCCn1ccnc1)c1ccncc1F
InChIInChI=1S/C11H11FN4O/c12-10-7-13-2-1-9(10)11(17)15-4-6-16-5-3-14-8-16/h1-3,5,7-8H,4,6H2,(H,15,17)
InChIKeyLHEIWJNJEWYWFG-UHFFFAOYSA-N
XLogP0.85
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 66463625
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
2-fluoro-N-(2-imidazol-1-ylethyl)-5-nitrobenzamide
CID 61325737
3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 64950514
4-chloro-N-(2-imidazol-1-ylethyl)benzamide
CID 47019718
N-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide
CID 61375960
3-fluoro-N-[2-(2-methylpropanoylamino)ethyl]pyridine-4-carboxamide
CID 115645511
4-fluoro-N-(2-imidazol-1-ylethyl)-3-sulfanylbenzamide
CID 107024935
6-fluoro-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
CID 115497664
N-[2-[ethyl(propyl)amino]ethyl]-3-fluoropyridine-4-carboxamide
CID 113247671
2-amino-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 105384706
3-fluoro-N-(5-hydroxypentyl)pyridine-4-carboxamide
CID 107317148

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-imidazol-1-ylethyl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-(2-imidazol-1-ylethyl)pyridine-4-carboxamide (CID 115645510) is 3-fluoro-N-(2-imidazol-1-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-(2-imidazol-1-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-(2-imidazol-1-ylethyl)pyridine-4-carboxamide is O=C(NCCn1ccnc1)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-(2-imidazol-1-ylethyl)pyridine-4-carboxamide?
The InChIKey is LHEIWJNJEWYWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O/c12-10-7-13-2-1-9(10)11(17)15-4-6-16-5-3-14-8-16/h1-3,5,7-8H,4,6H2,(H,15,17).
What are the key properties of 3-fluoro-N-(2-imidazol-1-ylethyl)pyridine-4-carboxamide?
3-fluoro-N-(2-imidazol-1-ylethyl)pyridine-4-carboxamide has a molecular weight of 234.23 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-imidazol-1-ylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 115645510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).