N-[5-(1,5-dimethylpyrazol-3-yl)-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide

C24H23FN4O2 — CID 75215388

IUPACN-[5-(1,5-dimethylpyrazol-3-yl)-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
SMILESCc1ccc(-c2cc(C)n(C)n2)cc1NC(=O)C1=CNC(=O)CC1c1ccc(F)cc1
InChIInChI=1S/C24H23FN4O2/c1-14-4-5-17(22-10-15(2)29(3)28-22)11-21(14)27-24(31)20-13-26-23(30)12-19(20)16-6-8-18(25)9-7-16/h4-11,13,19H,12H2,1-3H3,(H,26,30)(H,27,31)
InChIKeyQJEZSUXCJZWIFO-UHFFFAOYSA-N
MW418.47 g/mol
LogP3.97
Rot. Bonds4

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

N-[5-(1,5-dimethylpyrazol-3-yl)-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide (PubChem CID 75215388) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is N-[5-(1,5-dimethylpyrazol-3-yl)-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[5-(1,5-dimethylpyrazol-3-yl)-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
PubChem CID75215388
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC NameN-[5-(1,5-dimethylpyrazol-3-yl)-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
SMILESCc1ccc(-c2cc(C)n(C)n2)cc1NC(=O)C1=CNC(=O)CC1c1ccc(F)cc1
InChIInChI=1S/C24H23FN4O2/c1-14-4-5-17(22-10-15(2)29(3)28-22)11-21(14)27-24(31)20-13-26-23(30)12-19(20)16-6-8-18(25)9-7-16/h4-11,13,19H,12H2,1-3H3,(H,26,30)(H,27,31)
InChIKeyQJEZSUXCJZWIFO-UHFFFAOYSA-N
XLogP3.97
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,5-dimethylpyrazol-3-yl)-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The IUPAC name of N-[5-(1,5-dimethylpyrazol-3-yl)-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide (CID 75215388) is N-[5-(1,5-dimethylpyrazol-3-yl)-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide.
What is the SMILES notation for N-[5-(1,5-dimethylpyrazol-3-yl)-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The canonical SMILES for N-[5-(1,5-dimethylpyrazol-3-yl)-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide is Cc1ccc(-c2cc(C)n(C)n2)cc1NC(=O)C1=CNC(=O)CC1c1ccc(F)cc1.
What is the InChIKey of N-[5-(1,5-dimethylpyrazol-3-yl)-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The InChIKey is QJEZSUXCJZWIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-14-4-5-17(22-10-15(2)29(3)28-22)11-21(14)27-24(31)20-13-26-23(30)12-19(20)16-6-8-18(25)9-7-16/h4-11,13,19H,12H2,1-3H3,(H,26,30)(H,27,31).
What are the key properties of N-[5-(1,5-dimethylpyrazol-3-yl)-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
N-[5-(1,5-dimethylpyrazol-3-yl)-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide has a molecular weight of 418.47 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,5-dimethylpyrazol-3-yl)-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide is sourced from PubChem (CID 75215388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).