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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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).