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

C16H23N3O2 — CID 644571

IUPAC6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)-1-propylpyridine-3-carbonitrile
SMILESCCCn1c(O)c(CN2CCCCC2)c(C)c(C#N)c1=O
InChIInChI=1S/C16H23N3O2/c1-3-7-19-15(20)13(10-17)12(2)14(16(19)21)11-18-8-5-4-6-9-18/h21H,3-9,11H2,1-2H3
InChIKeyKDRPAVNTIGLFQF-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.13
Rot. Bonds4

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

6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)-1-propylpyridine-3-carbonitrile (PubChem CID 644571) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)-1-propylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)-1-propylpyridine-3-carbonitrile
PubChem CID644571
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)-1-propylpyridine-3-carbonitrile
SMILESCCCn1c(O)c(CN2CCCCC2)c(C)c(C#N)c1=O
InChIInChI=1S/C16H23N3O2/c1-3-7-19-15(20)13(10-17)12(2)14(16(19)21)11-18-8-5-4-6-9-18/h21H,3-9,11H2,1-2H3
InChIKeyKDRPAVNTIGLFQF-UHFFFAOYSA-N
XLogP2.13
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)-1-propylpyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)-1-propylpyridine-3-carbonitrile (CID 644571) is 6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)-1-propylpyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)-1-propylpyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)-1-propylpyridine-3-carbonitrile is CCCn1c(O)c(CN2CCCCC2)c(C)c(C#N)c1=O.
What is the InChIKey of 6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)-1-propylpyridine-3-carbonitrile?
The InChIKey is KDRPAVNTIGLFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-7-19-15(20)13(10-17)12(2)14(16(19)21)11-18-8-5-4-6-9-18/h21H,3-9,11H2,1-2H3.
What are the key properties of 6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)-1-propylpyridine-3-carbonitrile?
6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)-1-propylpyridine-3-carbonitrile has a molecular weight of 289.38 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)-1-propylpyridine-3-carbonitrile is sourced from PubChem (CID 644571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).