5-methyl-2-oxo-6-propyl-1H-pyridine-3-carbonitrile

C10H12N2O — CID 23302199

IUPAC5-methyl-2-oxo-6-propyl-1H-pyridine-3-carbonitrile
SMILESCCCc1[nH]c(=O)c(C#N)cc1C
InChIInChI=1S/C10H12N2O/c1-3-4-9-7(2)5-8(6-11)10(13)12-9/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyFLCKZNDAAMXGMC-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.51
Rot. Bonds2

About 5-methyl-2-oxo-6-propyl-1H-pyridine-3-carbonitrile

5-methyl-2-oxo-6-propyl-1H-pyridine-3-carbonitrile (PubChem CID 23302199) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 5-methyl-2-oxo-6-propyl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-methyl-2-oxo-6-propyl-1H-pyridine-3-carbonitrile
PubChem CID23302199
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name5-methyl-2-oxo-6-propyl-1H-pyridine-3-carbonitrile
SMILESCCCc1[nH]c(=O)c(C#N)cc1C
InChIInChI=1S/C10H12N2O/c1-3-4-9-7(2)5-8(6-11)10(13)12-9/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyFLCKZNDAAMXGMC-UHFFFAOYSA-N
XLogP1.51
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 12944925
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CID 642508
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CID 4365944
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-oxo-6-propyl-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-methyl-2-oxo-6-propyl-1H-pyridine-3-carbonitrile (CID 23302199) is 5-methyl-2-oxo-6-propyl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-methyl-2-oxo-6-propyl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-methyl-2-oxo-6-propyl-1H-pyridine-3-carbonitrile is CCCc1[nH]c(=O)c(C#N)cc1C.
What is the InChIKey of 5-methyl-2-oxo-6-propyl-1H-pyridine-3-carbonitrile?
The InChIKey is FLCKZNDAAMXGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-3-4-9-7(2)5-8(6-11)10(13)12-9/h5H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 5-methyl-2-oxo-6-propyl-1H-pyridine-3-carbonitrile?
5-methyl-2-oxo-6-propyl-1H-pyridine-3-carbonitrile has a molecular weight of 176.22 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-oxo-6-propyl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 23302199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).