6-hydroxy-1-(3-hydroxypropyl)-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile

C15H21N3O4 — CID 4164458

IUPAC6-hydroxy-1-(3-hydroxypropyl)-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile
SMILESCc1c(CN2CCOCC2)c(O)n(CCCO)c(=O)c1C#N
InChIInChI=1S/C15H21N3O4/c1-11-12(9-16)14(20)18(3-2-6-19)15(21)13(11)10-17-4-7-22-8-5-17/h19,21H,2-8,10H2,1H3
InChIKeyJLDCYYYLTRIWDC-UHFFFAOYSA-N
MW307.35 g/mol
LogP-0.05
Rot. Bonds5

About 6-hydroxy-1-(3-hydroxypropyl)-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile

6-hydroxy-1-(3-hydroxypropyl)-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile (PubChem CID 4164458) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 6-hydroxy-1-(3-hydroxypropyl)-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-1-(3-hydroxypropyl)-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile
PubChem CID4164458
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name6-hydroxy-1-(3-hydroxypropyl)-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile
SMILESCc1c(CN2CCOCC2)c(O)n(CCCO)c(=O)c1C#N
InChIInChI=1S/C15H21N3O4/c1-11-12(9-16)14(20)18(3-2-6-19)15(21)13(11)10-17-4-7-22-8-5-17/h19,21H,2-8,10H2,1H3
InChIKeyJLDCYYYLTRIWDC-UHFFFAOYSA-N
XLogP-0.05
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(3-hydroxypropyl)-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-1-(3-hydroxypropyl)-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile (CID 4164458) is 6-hydroxy-1-(3-hydroxypropyl)-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-1-(3-hydroxypropyl)-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-1-(3-hydroxypropyl)-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile is Cc1c(CN2CCOCC2)c(O)n(CCCO)c(=O)c1C#N.
What is the InChIKey of 6-hydroxy-1-(3-hydroxypropyl)-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is JLDCYYYLTRIWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-11-12(9-16)14(20)18(3-2-6-19)15(21)13(11)10-17-4-7-22-8-5-17/h19,21H,2-8,10H2,1H3.
What are the key properties of 6-hydroxy-1-(3-hydroxypropyl)-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile?
6-hydroxy-1-(3-hydroxypropyl)-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 307.35 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(3-hydroxypropyl)-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 4164458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).