2-oxo-4-pentan-3-yl-6-propan-2-yl-1H-pyridine-3-carbonitrile

C14H20N2O — CID 164663154

IUPAC2-oxo-4-pentan-3-yl-6-propan-2-yl-1H-pyridine-3-carbonitrile
SMILESCCC(CC)c1cc(C(C)C)[nH]c(=O)c1C#N
InChIInChI=1S/C14H20N2O/c1-5-10(6-2)11-7-13(9(3)4)16-14(17)12(11)8-15/h7,9-10H,5-6H2,1-4H3,(H,16,17)
InChIKeyJTFVCCCLJJKVHD-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.27
Rot. Bonds4

About 2-oxo-4-pentan-3-yl-6-propan-2-yl-1H-pyridine-3-carbonitrile

2-oxo-4-pentan-3-yl-6-propan-2-yl-1H-pyridine-3-carbonitrile (PubChem CID 164663154) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-oxo-4-pentan-3-yl-6-propan-2-yl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-4-pentan-3-yl-6-propan-2-yl-1H-pyridine-3-carbonitrile
PubChem CID164663154
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-oxo-4-pentan-3-yl-6-propan-2-yl-1H-pyridine-3-carbonitrile
SMILESCCC(CC)c1cc(C(C)C)[nH]c(=O)c1C#N
InChIInChI=1S/C14H20N2O/c1-5-10(6-2)11-7-13(9(3)4)16-14(17)12(11)8-15/h7,9-10H,5-6H2,1-4H3,(H,16,17)
InChIKeyJTFVCCCLJJKVHD-UHFFFAOYSA-N
XLogP3.27
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-methylphenyl)-2-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile
CID 134296937
2-oxo-6-propan-2-yl-1H-pyrimidine-4-carbonitrile
CID 39235857
6-ethyl-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 10630830
4-cyclopropyl-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 7017241
4-(aminomethyl)-6-propan-2-yl-2-sulfanylidene-1H-pyridine-3-carbonitrile
CID 82507454
2-(2-oxo-6-propan-2-yl-1H-pyridin-3-yl)acetonitrile
CID 82524660
2-hydroxy-6-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile
CID 72711414
methyl 3-cyano-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate
CID 130076967
2-methyl-5-propan-2-yl-1H-pyrrole-3-carbonitrile
CID 15883174
2,6-diethyl-4-propan-2-ylbenzonitrile
CID 134444218
methyl 2-[3-cyano-6-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetate
CID 134686450
4-(4-butan-2-yloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585236

Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-pentan-3-yl-6-propan-2-yl-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-4-pentan-3-yl-6-propan-2-yl-1H-pyridine-3-carbonitrile (CID 164663154) is 2-oxo-4-pentan-3-yl-6-propan-2-yl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-4-pentan-3-yl-6-propan-2-yl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-4-pentan-3-yl-6-propan-2-yl-1H-pyridine-3-carbonitrile is CCC(CC)c1cc(C(C)C)[nH]c(=O)c1C#N.
What is the InChIKey of 2-oxo-4-pentan-3-yl-6-propan-2-yl-1H-pyridine-3-carbonitrile?
The InChIKey is JTFVCCCLJJKVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-5-10(6-2)11-7-13(9(3)4)16-14(17)12(11)8-15/h7,9-10H,5-6H2,1-4H3,(H,16,17).
What are the key properties of 2-oxo-4-pentan-3-yl-6-propan-2-yl-1H-pyridine-3-carbonitrile?
2-oxo-4-pentan-3-yl-6-propan-2-yl-1H-pyridine-3-carbonitrile has a molecular weight of 232.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-pentan-3-yl-6-propan-2-yl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 164663154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).