(4S)-4-(4-fluorophenyl)-1-methyl-N-[2-methyl-5-(1-methyl-2-oxo-3-pyridinyl)phenyl]-2-oxo-3,4-dihydropyridine-5-carboxamide

C26H24FN3O3 — CID 59377521

IUPAC(4S)-4-(4-fluorophenyl)-1-methyl-N-[2-methyl-5-(1-methyl-2-oxo-3-pyridinyl)phenyl]-2-oxo-3,4-dihydropyridine-5-carboxamide
SMILESCc1ccc(-c2cccn(C)c2=O)cc1NC(=O)C1=CN(C)C(=O)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C26H24FN3O3/c1-16-6-7-18(20-5-4-12-29(2)26(20)33)13-23(16)28-25(32)22-15-30(3)24(31)14-21(22)17-8-10-19(27)11-9-17/h4-13,15,21H,14H2,1-3H3,(H,28,32)/t21-/m0/s1
InChIKeyUVTDZJMENWUFNQ-NRFANRHFSA-N
MW445.49 g/mol
LogP3.97
Rot. Bonds4

About (4S)-4-(4-fluorophenyl)-1-methyl-N-[2-methyl-5-(1-methyl-2-oxo-3-pyridinyl)phenyl]-2-oxo-3,4-dihydropyridine-5-carboxamide

(4S)-4-(4-fluorophenyl)-1-methyl-N-[2-methyl-5-(1-methyl-2-oxo-3-pyridinyl)phenyl]-2-oxo-3,4-dihydropyridine-5-carboxamide (PubChem CID 59377521) has the molecular formula C26H24FN3O3 and a molecular weight of 445.49 g/mol. Its IUPAC name is (4S)-4-(4-fluorophenyl)-1-methyl-N-[2-methyl-5-(1-methyl-2-oxo-3-pyridinyl)phenyl]-2-oxo-3,4-dihydropyridine-5-carboxamide.

Molecular Properties

Compound Name(4S)-4-(4-fluorophenyl)-1-methyl-N-[2-methyl-5-(1-methyl-2-oxo-3-pyridinyl)phenyl]-2-oxo-3,4-dihydropyridine-5-carboxamide
PubChem CID59377521
Molecular FormulaC26H24FN3O3
Molecular Weight445.49 g/mol
Exact Mass445.18
IUPAC Name(4S)-4-(4-fluorophenyl)-1-methyl-N-[2-methyl-5-(1-methyl-2-oxo-3-pyridinyl)phenyl]-2-oxo-3,4-dihydropyridine-5-carboxamide
SMILESCc1ccc(-c2cccn(C)c2=O)cc1NC(=O)C1=CN(C)C(=O)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C26H24FN3O3/c1-16-6-7-18(20-5-4-12-29(2)26(20)33)13-23(16)28-25(32)22-15-30(3)24(31)14-21(22)17-8-10-19(27)11-9-17/h4-13,15,21H,14H2,1-3H3,(H,28,32)/t21-/m0/s1
InChIKeyUVTDZJMENWUFNQ-NRFANRHFSA-N
XLogP3.97
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(1-methyl-2-oxo-3-pyridinyl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 70794830
(4S)-4-(4-fluorophenyl)-N-[5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]-2-methylphenyl]-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 59377491
(4S)-4-(4-fluorophenyl)-N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 59377439
(4S)-N-[2-chloro-5-[1-(2-hydroxyethyl)-5-methylpyrazol-3-yl]phenyl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 59377506
(4S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-5-methylindazol-6-yl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 59377442
(4S)-N-[2-fluoro-5-(6-methyl-2,5-dihydropyrazin-2-yl)phenyl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 91516240
N-[5-(1,5-dimethylpyrazol-3-yl)-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 75215388
N-(4,5-dimethoxy-2-methylphenyl)-4-(4-fluorophenyl)-1-(2-hydroxyethyl)-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 59377997
(6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(3-methyl-2,4-dioxopyrimidin-1-yl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 70794776
(4R)-N-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 59378023
(6S)-6-(4-fluorophenyl)-N-[5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]-2-methylphenyl]-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 70794831
(4S)-4-(4-fluorophenyl)-1-(2-hydroxyethyl)-N-[2-methyl-5-(4-methyl-3,5-dioxo-1,2,4-triazin-2-yl)phenyl]-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 59377584

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-fluorophenyl)-1-methyl-N-[2-methyl-5-(1-methyl-2-oxo-3-pyridinyl)phenyl]-2-oxo-3,4-dihydropyridine-5-carboxamide?
The IUPAC name of (4S)-4-(4-fluorophenyl)-1-methyl-N-[2-methyl-5-(1-methyl-2-oxo-3-pyridinyl)phenyl]-2-oxo-3,4-dihydropyridine-5-carboxamide (CID 59377521) is (4S)-4-(4-fluorophenyl)-1-methyl-N-[2-methyl-5-(1-methyl-2-oxo-3-pyridinyl)phenyl]-2-oxo-3,4-dihydropyridine-5-carboxamide.
What is the SMILES notation for (4S)-4-(4-fluorophenyl)-1-methyl-N-[2-methyl-5-(1-methyl-2-oxo-3-pyridinyl)phenyl]-2-oxo-3,4-dihydropyridine-5-carboxamide?
The canonical SMILES for (4S)-4-(4-fluorophenyl)-1-methyl-N-[2-methyl-5-(1-methyl-2-oxo-3-pyridinyl)phenyl]-2-oxo-3,4-dihydropyridine-5-carboxamide is Cc1ccc(-c2cccn(C)c2=O)cc1NC(=O)C1=CN(C)C(=O)C[C@H]1c1ccc(F)cc1.
What is the InChIKey of (4S)-4-(4-fluorophenyl)-1-methyl-N-[2-methyl-5-(1-methyl-2-oxo-3-pyridinyl)phenyl]-2-oxo-3,4-dihydropyridine-5-carboxamide?
The InChIKey is UVTDZJMENWUFNQ-NRFANRHFSA-N. The full InChI is InChI=1S/C26H24FN3O3/c1-16-6-7-18(20-5-4-12-29(2)26(20)33)13-23(16)28-25(32)22-15-30(3)24(31)14-21(22)17-8-10-19(27)11-9-17/h4-13,15,21H,14H2,1-3H3,(H,28,32)/t21-/m0/s1.
What are the key properties of (4S)-4-(4-fluorophenyl)-1-methyl-N-[2-methyl-5-(1-methyl-2-oxo-3-pyridinyl)phenyl]-2-oxo-3,4-dihydropyridine-5-carboxamide?
(4S)-4-(4-fluorophenyl)-1-methyl-N-[2-methyl-5-(1-methyl-2-oxo-3-pyridinyl)phenyl]-2-oxo-3,4-dihydropyridine-5-carboxamide has a molecular weight of 445.49 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-fluorophenyl)-1-methyl-N-[2-methyl-5-(1-methyl-2-oxo-3-pyridinyl)phenyl]-2-oxo-3,4-dihydropyridine-5-carboxamide is sourced from PubChem (CID 59377521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).