6-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide

C12H13FN4O — CID 113323370

IUPAC6-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cccc(F)n1
InChIInChI=1S/C12H13FN4O/c13-11-4-1-3-10(16-11)12(18)15-5-2-7-17-8-6-14-9-17/h1,3-4,6,8-9H,2,5,7H2,(H,15,18)
InChIKeyAZHIWAWEHZFZAB-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.24
Rot. Bonds5

About 6-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide

6-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide (PubChem CID 113323370) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 6-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide
PubChem CID113323370
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name6-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cccc(F)n1
InChIInChI=1S/C12H13FN4O/c13-11-4-1-3-10(16-11)12(18)15-5-2-7-17-8-6-14-9-17/h1,3-4,6,8-9H,2,5,7H2,(H,15,18)
InChIKeyAZHIWAWEHZFZAB-UHFFFAOYSA-N
XLogP1.24
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-2-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

6-fluoro-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
CID 115497664
6-hydrazinyl-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 62248208
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 62240015
6-bromo-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
CID 103889552
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
N-(2-imidazol-1-ylethyl)-6-[(2-imidazol-1-ylethylamino)methyl]pyridine-2-carboxamide
CID 174225056
2-(2-chloro-6-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 2963113
2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide
CID 10177866
N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 47447578
6-(ethylamino)-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
CID 62234153
2-chloro-6-fluoro-N-(5-imidazol-1-ylpentyl)benzamide
CID 110445786

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide (CID 113323370) is 6-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide is O=C(NCCCn1ccnc1)c1cccc(F)n1.
What is the InChIKey of 6-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide?
The InChIKey is AZHIWAWEHZFZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c13-11-4-1-3-10(16-11)12(18)15-5-2-7-17-8-6-14-9-17/h1,3-4,6,8-9H,2,5,7H2,(H,15,18).
What are the key properties of 6-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide?
6-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide has a molecular weight of 248.26 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 113323370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).