6-(3-fluorophenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide

C21H23FN4O — CID 56745490

IUPAC6-(3-fluorophenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
SMILESCC(C)c1nccn1CCCNC(=O)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C21H23FN4O/c1-15(2)20-23-10-12-26(20)11-4-9-24-21(27)17-7-8-19(25-14-17)16-5-3-6-18(22)13-16/h3,5-8,10,12-15H,4,9,11H2,1-2H3,(H,24,27)
InChIKeyRIAGSYKBFHEJJE-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.03
Rot. Bonds7

About 6-(3-fluorophenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide

6-(3-fluorophenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide (PubChem CID 56745490) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
PubChem CID56745490
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name6-(3-fluorophenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
SMILESCC(C)c1nccn1CCCNC(=O)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C21H23FN4O/c1-15(2)20-23-10-12-26(20)11-4-9-24-21(27)17-7-8-19(25-14-17)16-5-3-6-18(22)13-16/h3,5-8,10,12-15H,4,9,11H2,1-2H3,(H,24,27)
InChIKeyRIAGSYKBFHEJJE-UHFFFAOYSA-N
XLogP4.03
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide (CID 56745490) is 6-(3-fluorophenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide is CC(C)c1nccn1CCCNC(=O)c1ccc(-c2cccc(F)c2)nc1.
What is the InChIKey of 6-(3-fluorophenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide?
The InChIKey is RIAGSYKBFHEJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-15(2)20-23-10-12-26(20)11-4-9-24-21(27)17-7-8-19(25-14-17)16-5-3-6-18(22)13-16/h3,5-8,10,12-15H,4,9,11H2,1-2H3,(H,24,27).
What are the key properties of 6-(3-fluorophenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide?
6-(3-fluorophenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 56745490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).