4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile

C24H23FN4O2 — CID 154984461

IUPAC4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile
SMILESCc1cccnc1-c1cc(-c2ccc(F)cc2)c(C#N)c(=O)n1CCN1CCOCC1
InChIInChI=1S/C24H23FN4O2/c1-17-3-2-8-27-23(17)22-15-20(18-4-6-19(25)7-5-18)21(16-26)24(30)29(22)10-9-28-11-13-31-14-12-28/h2-8,15H,9-14H2,1H3
InChIKeyNIPSVPBJDIWUNS-UHFFFAOYSA-N
MW418.47 g/mol
LogP3.23
Rot. Bonds5

About 4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile

4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile (PubChem CID 154984461) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile
PubChem CID154984461
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile
SMILESCc1cccnc1-c1cc(-c2ccc(F)cc2)c(C#N)c(=O)n1CCN1CCOCC1
InChIInChI=1S/C24H23FN4O2/c1-17-3-2-8-27-23(17)22-15-20(18-4-6-19(25)7-5-18)21(16-26)24(30)29(22)10-9-28-11-13-31-14-12-28/h2-8,15H,9-14H2,1H3
InChIKeyNIPSVPBJDIWUNS-UHFFFAOYSA-N
XLogP3.23
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-fluorophenyl)-1-methyl-2-oxo-6-phenylpyridine-3-carbonitrile
CID 175962931
4-(4-fluorophenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carbonitrile
CID 122539801
2-(4-methyl-3-morpholin-4-ylphenyl)pyridine-3-carbonitrile
CID 69486425
6-(4-methylphenyl)-2-(2-morpholin-4-ylethylsulfanyl)-4-phenylpyridine-3-carbonitrile
CID 3133383
2-ethoxy-6-(4-fluorophenyl)-4-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile
CID 102246453
4-[2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine dichloride
CID 56946930
2-[[4-(4-fluorophenyl)-5-[(2-morpholin-4-ylethylamino)methyl]-1,3-oxazol-2-yl]methoxy]-4-phenylpyridine-3-carbonitrile
CID 130219887
7-(4-fluoro-2-methylphenyl)-1-(2-morpholin-4-ylethyl)-3,4-dihydroquinolin-2-one
CID 175346372
4-[3-[4-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-pyridinyl]pyrazol-1-yl]propyl]morpholine
CID 141095123
6-[[5-(4-fluorophenyl)-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-2-carbonitrile
CID 133391985
7-fluoro-3-[5-(1-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-5-(2-morpholin-4-ylethyl)-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67888335
2-methyl-6-(2-morpholin-4-ylethylamino)benzonitrile
CID 114003078

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile (CID 154984461) is 4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile is Cc1cccnc1-c1cc(-c2ccc(F)cc2)c(C#N)c(=O)n1CCN1CCOCC1.
What is the InChIKey of 4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is NIPSVPBJDIWUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-17-3-2-8-27-23(17)22-15-20(18-4-6-19(25)7-5-18)21(16-26)24(30)29(22)10-9-28-11-13-31-14-12-28/h2-8,15H,9-14H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile?
4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 418.47 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 154984461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).