4-(4-fluorophenyl)-N-[2-methyl-5-(4-methylimidazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide

C23H21FN4O2 — CID 75215659

IUPAC4-(4-fluorophenyl)-N-[2-methyl-5-(4-methylimidazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
SMILESCc1cn(-c2ccc(C)c(NC(=O)C3=CNC(=O)CC3c3ccc(F)cc3)c2)cn1
InChIInChI=1S/C23H21FN4O2/c1-14-3-8-18(28-12-15(2)26-13-28)9-21(14)27-23(30)20-11-25-22(29)10-19(20)16-4-6-17(24)7-5-16/h3-9,11-13,19H,10H2,1-2H3,(H,25,29)(H,27,30)
InChIKeyAPBNVFCNVGWUHA-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.75
Rot. Bonds4

About 4-(4-fluorophenyl)-N-[2-methyl-5-(4-methylimidazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide

4-(4-fluorophenyl)-N-[2-methyl-5-(4-methylimidazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide (PubChem CID 75215659) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[2-methyl-5-(4-methylimidazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[2-methyl-5-(4-methylimidazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
PubChem CID75215659
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name4-(4-fluorophenyl)-N-[2-methyl-5-(4-methylimidazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
SMILESCc1cn(-c2ccc(C)c(NC(=O)C3=CNC(=O)CC3c3ccc(F)cc3)c2)cn1
InChIInChI=1S/C23H21FN4O2/c1-14-3-8-18(28-12-15(2)26-13-28)9-21(14)27-23(30)20-11-25-22(29)10-19(20)16-4-6-17(24)7-5-16/h3-9,11-13,19H,10H2,1-2H3,(H,25,29)(H,27,30)
InChIKeyAPBNVFCNVGWUHA-UHFFFAOYSA-N
XLogP3.75
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[2-methyl-5-(4-methylimidazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[2-methyl-5-(4-methylimidazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide (CID 75215659) is 4-(4-fluorophenyl)-N-[2-methyl-5-(4-methylimidazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[2-methyl-5-(4-methylimidazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[2-methyl-5-(4-methylimidazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide is Cc1cn(-c2ccc(C)c(NC(=O)C3=CNC(=O)CC3c3ccc(F)cc3)c2)cn1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[2-methyl-5-(4-methylimidazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The InChIKey is APBNVFCNVGWUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-14-3-8-18(28-12-15(2)26-13-28)9-21(14)27-23(30)20-11-25-22(29)10-19(20)16-4-6-17(24)7-5-16/h3-9,11-13,19H,10H2,1-2H3,(H,25,29)(H,27,30).
What are the key properties of 4-(4-fluorophenyl)-N-[2-methyl-5-(4-methylimidazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
4-(4-fluorophenyl)-N-[2-methyl-5-(4-methylimidazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide has a molecular weight of 404.45 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[2-methyl-5-(4-methylimidazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide is sourced from PubChem (CID 75215659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).