4-(3-hydroxypropyl)-1-[1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-4-phenyl-1,3-diazinan-2-one

C26H29N3O3 — CID 68783232

IUPAC4-(3-hydroxypropyl)-1-[1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-4-phenyl-1,3-diazinan-2-one
SMILESCC(c1ccc(-c2ccc(=O)[nH]c2)cc1)N1CCC(CCCO)(c2ccccc2)NC1=O
InChIInChI=1S/C26H29N3O3/c1-19(20-8-10-21(11-9-20)22-12-13-24(31)27-18-22)29-16-15-26(14-5-17-30,28-25(29)32)23-6-3-2-4-7-23/h2-4,6-13,18-19,30H,5,14-17H2,1H3,(H,27,31)(H,28,32)
InChIKeyGQFSNQQPLGJQEG-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.19
Rot. Bonds7

About 4-(3-hydroxypropyl)-1-[1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-4-phenyl-1,3-diazinan-2-one

4-(3-hydroxypropyl)-1-[1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-4-phenyl-1,3-diazinan-2-one (PubChem CID 68783232) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 4-(3-hydroxypropyl)-1-[1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-4-phenyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name4-(3-hydroxypropyl)-1-[1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-4-phenyl-1,3-diazinan-2-one
PubChem CID68783232
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name4-(3-hydroxypropyl)-1-[1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-4-phenyl-1,3-diazinan-2-one
SMILESCC(c1ccc(-c2ccc(=O)[nH]c2)cc1)N1CCC(CCCO)(c2ccccc2)NC1=O
InChIInChI=1S/C26H29N3O3/c1-19(20-8-10-21(11-9-20)22-12-13-24(31)27-18-22)29-16-15-26(14-5-17-30,28-25(29)32)23-6-3-2-4-7-23/h2-4,6-13,18-19,30H,5,14-17H2,1H3,(H,27,31)(H,28,32)
InChIKeyGQFSNQQPLGJQEG-UHFFFAOYSA-N
XLogP4.19
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(4-fluorophenyl)-4-(3-hydroxypropyl)-1,3-diazinan-2-one
CID 68781833
(6R)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-[(1S)-1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-1,3-oxazinan-2-one
CID 59635635
6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
CID 66601031
4-(2-hydroxyethyl)-1-[(1S)-1-[4-(6-methoxy-3-pyridinyl)phenyl]ethyl]-4-phenyl-1,3-diazepan-2-one
CID 68549551
1-[1-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)-4-(2-hydroxyethyl)-1,3-diazinan-2-one
CID 68781220
6-(3-hydroxypropyl)-3-[1-[4-(2-oxo-1H-pyridin-4-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
CID 91005848
2,2-dimethyl-3-[2-oxo-3-[(1S)-1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-6-yl]propanenitrile
CID 66600982
(4S)-4-(4-fluorophenyl)-4-(2-hydroxyethyl)-1-[(1S)-1-(4-methoxyphenyl)ethyl]-1,3-diazinan-2-one
CID 59627216
benzene;5-[4-[1-[4-(2-hydroxyethyl)-2-oxopiperidin-1-yl]ethyl]phenyl]-1H-pyridin-2-one
CID 143930322
(6R)-6-(2,2-dimethylbut-3-ynyl)-3-[(1S)-1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
CID 73427554
4-(2-hydroxy-2-methylpropyl)-1-[(1S)-1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]-4-phenyl-1,3-diazepan-2-one
CID 68549854
6-(2-hydroxyethyl)-6-phenyl-3-[(1S)-1-(4-phenylphenyl)ethyl]-1,3-oxazinan-2-one
CID 66857539

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypropyl)-1-[1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-4-phenyl-1,3-diazinan-2-one?
The IUPAC name of 4-(3-hydroxypropyl)-1-[1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-4-phenyl-1,3-diazinan-2-one (CID 68783232) is 4-(3-hydroxypropyl)-1-[1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-4-phenyl-1,3-diazinan-2-one.
What is the SMILES notation for 4-(3-hydroxypropyl)-1-[1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-4-phenyl-1,3-diazinan-2-one?
The canonical SMILES for 4-(3-hydroxypropyl)-1-[1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-4-phenyl-1,3-diazinan-2-one is CC(c1ccc(-c2ccc(=O)[nH]c2)cc1)N1CCC(CCCO)(c2ccccc2)NC1=O.
What is the InChIKey of 4-(3-hydroxypropyl)-1-[1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-4-phenyl-1,3-diazinan-2-one?
The InChIKey is GQFSNQQPLGJQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-19(20-8-10-21(11-9-20)22-12-13-24(31)27-18-22)29-16-15-26(14-5-17-30,28-25(29)32)23-6-3-2-4-7-23/h2-4,6-13,18-19,30H,5,14-17H2,1H3,(H,27,31)(H,28,32).
What are the key properties of 4-(3-hydroxypropyl)-1-[1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-4-phenyl-1,3-diazinan-2-one?
4-(3-hydroxypropyl)-1-[1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-4-phenyl-1,3-diazinan-2-one has a molecular weight of 431.54 g/mol, XLogP of 4.19, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypropyl)-1-[1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-4-phenyl-1,3-diazinan-2-one is sourced from PubChem (CID 68783232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).