6-fluoro-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide

C11H11FN4O — CID 115497664

IUPAC6-fluoro-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
SMILESO=C(NCCn1ccnc1)c1cccc(F)n1
InChIInChI=1S/C11H11FN4O/c12-10-3-1-2-9(15-10)11(17)14-5-7-16-6-4-13-8-16/h1-4,6,8H,5,7H2,(H,14,17)
InChIKeyGMIGJHCHWKKDKO-UHFFFAOYSA-N
MW234.23 g/mol
LogP0.85
Rot. Bonds4

About 6-fluoro-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide

6-fluoro-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide (PubChem CID 115497664) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is 6-fluoro-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
PubChem CID115497664
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC Name6-fluoro-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
SMILESO=C(NCCn1ccnc1)c1cccc(F)n1
InChIInChI=1S/C11H11FN4O/c12-10-3-1-2-9(15-10)11(17)14-5-7-16-6-4-13-8-16/h1-4,6,8H,5,7H2,(H,14,17)
InChIKeyGMIGJHCHWKKDKO-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

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide
CID 113323370
6-bromo-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
CID 103889552
N-(2-imidazol-1-ylethyl)-6-[(2-imidazol-1-ylethylamino)methyl]pyridine-2-carboxamide
CID 174225056
6-(ethylamino)-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
CID 62234153
1-[2-[(6-fluoropyridine-2-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107497359
6-hydrazinyl-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 62248208
6-fluoro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 115497621
6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 62240015
N-[2-(diethylamino)ethyl]-6-fluoropyridine-2-carboxamide
CID 115496571
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
3-fluoro-N-(2-imidazol-1-ylethyl)pyridine-4-carboxamide
CID 115645510
6-fluoro-N-pent-3-ynylpyridine-2-carboxamide
CID 104581025

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide (CID 115497664) is 6-fluoro-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide is O=C(NCCn1ccnc1)c1cccc(F)n1.
What is the InChIKey of 6-fluoro-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide?
The InChIKey is GMIGJHCHWKKDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O/c12-10-3-1-2-9(15-10)11(17)14-5-7-16-6-4-13-8-16/h1-4,6,8H,5,7H2,(H,14,17).
What are the key properties of 6-fluoro-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide?
6-fluoro-N-(2-imidazol-1-ylethyl)pyridine-2-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 6-fluoro-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 115497664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).