6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1-propylpyridine-3-carbonitrile

C15H21N3O3 — CID 4169236

IUPAC6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1-propylpyridine-3-carbonitrile
SMILESCCCn1c(O)c(CN2CCOCC2)c(C)c(C#N)c1=O
InChIInChI=1S/C15H21N3O3/c1-3-4-18-14(19)12(9-16)11(2)13(15(18)20)10-17-5-7-21-8-6-17/h20H,3-8,10H2,1-2H3
InChIKeyFHYIPRVQBAEKMD-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.98
Rot. Bonds4

About 6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1-propylpyridine-3-carbonitrile

6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1-propylpyridine-3-carbonitrile (PubChem CID 4169236) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1-propylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1-propylpyridine-3-carbonitrile
PubChem CID4169236
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1-propylpyridine-3-carbonitrile
SMILESCCCn1c(O)c(CN2CCOCC2)c(C)c(C#N)c1=O
InChIInChI=1S/C15H21N3O3/c1-3-4-18-14(19)12(9-16)11(2)13(15(18)20)10-17-5-7-21-8-6-17/h20H,3-8,10H2,1-2H3
InChIKeyFHYIPRVQBAEKMD-UHFFFAOYSA-N
XLogP0.98
TPSA78.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1-propylpyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1-propylpyridine-3-carbonitrile (CID 4169236) is 6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1-propylpyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1-propylpyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1-propylpyridine-3-carbonitrile is CCCn1c(O)c(CN2CCOCC2)c(C)c(C#N)c1=O.
What is the InChIKey of 6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1-propylpyridine-3-carbonitrile?
The InChIKey is FHYIPRVQBAEKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-4-18-14(19)12(9-16)11(2)13(15(18)20)10-17-5-7-21-8-6-17/h20H,3-8,10H2,1-2H3.
What are the key properties of 6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1-propylpyridine-3-carbonitrile?
6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1-propylpyridine-3-carbonitrile has a molecular weight of 291.35 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1-propylpyridine-3-carbonitrile is sourced from PubChem (CID 4169236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).