N-(4,5-dimethoxy-2-methylphenyl)-4-(4-fluorophenyl)-1-(2-hydroxyethyl)-2-oxo-3,4-dihydropyridine-5-carboxamide

C23H25FN2O5 — CID 59377997

IUPACN-(4,5-dimethoxy-2-methylphenyl)-4-(4-fluorophenyl)-1-(2-hydroxyethyl)-2-oxo-3,4-dihydropyridine-5-carboxamide
SMILESCOc1cc(C)c(NC(=O)C2=CN(CCO)C(=O)CC2c2ccc(F)cc2)cc1OC
InChIInChI=1S/C23H25FN2O5/c1-14-10-20(30-2)21(31-3)12-19(14)25-23(29)18-13-26(8-9-27)22(28)11-17(18)15-4-6-16(24)7-5-15/h4-7,10,12-13,17,27H,8-9,11H2,1-3H3,(H,25,29)
InChIKeyOFXZJZIXNQWJKG-UHFFFAOYSA-N
MW428.46 g/mol
LogP2.98
Rot. Bonds7

About N-(4,5-dimethoxy-2-methylphenyl)-4-(4-fluorophenyl)-1-(2-hydroxyethyl)-2-oxo-3,4-dihydropyridine-5-carboxamide

N-(4,5-dimethoxy-2-methylphenyl)-4-(4-fluorophenyl)-1-(2-hydroxyethyl)-2-oxo-3,4-dihydropyridine-5-carboxamide (PubChem CID 59377997) has the molecular formula C23H25FN2O5 and a molecular weight of 428.46 g/mol. Its IUPAC name is N-(4,5-dimethoxy-2-methylphenyl)-4-(4-fluorophenyl)-1-(2-hydroxyethyl)-2-oxo-3,4-dihydropyridine-5-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethoxy-2-methylphenyl)-4-(4-fluorophenyl)-1-(2-hydroxyethyl)-2-oxo-3,4-dihydropyridine-5-carboxamide
PubChem CID59377997
Molecular FormulaC23H25FN2O5
Molecular Weight428.46 g/mol
Exact Mass428.17
IUPAC NameN-(4,5-dimethoxy-2-methylphenyl)-4-(4-fluorophenyl)-1-(2-hydroxyethyl)-2-oxo-3,4-dihydropyridine-5-carboxamide
SMILESCOc1cc(C)c(NC(=O)C2=CN(CCO)C(=O)CC2c2ccc(F)cc2)cc1OC
InChIInChI=1S/C23H25FN2O5/c1-14-10-20(30-2)21(31-3)12-19(14)25-23(29)18-13-26(8-9-27)22(28)11-17(18)15-4-6-16(24)7-5-15/h4-7,10,12-13,17,27H,8-9,11H2,1-3H3,(H,25,29)
InChIKeyOFXZJZIXNQWJKG-UHFFFAOYSA-N
XLogP2.98
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(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
(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
(6S)-N-[4-chloro-5-(2-hydroxyethoxy)-2-methylphenyl]-6-(4-fluorophenyl)-3-(2-methoxyethyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 70794825
(4S)-4-(4-fluorophenyl)-N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 59377439
(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
(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
methyl 2-[2-chloro-5-[[(4R)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonyl]amino]-4-methylphenoxy]acetate
CID 68607305
(4S)-N-[4-chloro-5-[(2S)-2-hydroxy-3-methoxypropoxy]-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 68604347
(4R)-N-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 59378023
1-[2-(dimethylamino)-2-oxoethyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydropyridine-5-carboxylic acid
CID 68607445
N-(4,5-dimethoxy-2-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46698498

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-4-(4-fluorophenyl)-1-(2-hydroxyethyl)-2-oxo-3,4-dihydropyridine-5-carboxamide?
The IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-4-(4-fluorophenyl)-1-(2-hydroxyethyl)-2-oxo-3,4-dihydropyridine-5-carboxamide (CID 59377997) is N-(4,5-dimethoxy-2-methylphenyl)-4-(4-fluorophenyl)-1-(2-hydroxyethyl)-2-oxo-3,4-dihydropyridine-5-carboxamide.
What is the SMILES notation for N-(4,5-dimethoxy-2-methylphenyl)-4-(4-fluorophenyl)-1-(2-hydroxyethyl)-2-oxo-3,4-dihydropyridine-5-carboxamide?
The canonical SMILES for N-(4,5-dimethoxy-2-methylphenyl)-4-(4-fluorophenyl)-1-(2-hydroxyethyl)-2-oxo-3,4-dihydropyridine-5-carboxamide is COc1cc(C)c(NC(=O)C2=CN(CCO)C(=O)CC2c2ccc(F)cc2)cc1OC.
What is the InChIKey of N-(4,5-dimethoxy-2-methylphenyl)-4-(4-fluorophenyl)-1-(2-hydroxyethyl)-2-oxo-3,4-dihydropyridine-5-carboxamide?
The InChIKey is OFXZJZIXNQWJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O5/c1-14-10-20(30-2)21(31-3)12-19(14)25-23(29)18-13-26(8-9-27)22(28)11-17(18)15-4-6-16(24)7-5-15/h4-7,10,12-13,17,27H,8-9,11H2,1-3H3,(H,25,29).
What are the key properties of N-(4,5-dimethoxy-2-methylphenyl)-4-(4-fluorophenyl)-1-(2-hydroxyethyl)-2-oxo-3,4-dihydropyridine-5-carboxamide?
N-(4,5-dimethoxy-2-methylphenyl)-4-(4-fluorophenyl)-1-(2-hydroxyethyl)-2-oxo-3,4-dihydropyridine-5-carboxamide has a molecular weight of 428.46 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethoxy-2-methylphenyl)-4-(4-fluorophenyl)-1-(2-hydroxyethyl)-2-oxo-3,4-dihydropyridine-5-carboxamide is sourced from PubChem (CID 59377997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).