2-[1-cyclopropyl-2-oxo-6-(4-propan-2-ylphenyl)-3-pyridinyl]acetonitrile

C19H20N2O — CID 82520396

IUPAC2-[1-cyclopropyl-2-oxo-6-(4-propan-2-ylphenyl)-3-pyridinyl]acetonitrile
SMILESCC(C)c1ccc(-c2ccc(CC#N)c(=O)n2C2CC2)cc1
InChIInChI=1S/C19H20N2O/c1-13(2)14-3-5-15(6-4-14)18-10-7-16(11-12-20)19(22)21(18)17-8-9-17/h3-7,10,13,17H,8-9,11H2,1-2H3
InChIKeyNOBJCHUMVUHMOZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.04
Rot. Bonds4

About 2-[1-cyclopropyl-2-oxo-6-(4-propan-2-ylphenyl)-3-pyridinyl]acetonitrile

2-[1-cyclopropyl-2-oxo-6-(4-propan-2-ylphenyl)-3-pyridinyl]acetonitrile (PubChem CID 82520396) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[1-cyclopropyl-2-oxo-6-(4-propan-2-ylphenyl)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[1-cyclopropyl-2-oxo-6-(4-propan-2-ylphenyl)-3-pyridinyl]acetonitrile
PubChem CID82520396
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name2-[1-cyclopropyl-2-oxo-6-(4-propan-2-ylphenyl)-3-pyridinyl]acetonitrile
SMILESCC(C)c1ccc(-c2ccc(CC#N)c(=O)n2C2CC2)cc1
InChIInChI=1S/C19H20N2O/c1-13(2)14-3-5-15(6-4-14)18-10-7-16(11-12-20)19(22)21(18)17-8-9-17/h3-7,10,13,17H,8-9,11H2,1-2H3
InChIKeyNOBJCHUMVUHMOZ-UHFFFAOYSA-N
XLogP4.04
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropyl-2-oxo-6-(4-propan-2-ylphenyl)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[1-cyclopropyl-2-oxo-6-(4-propan-2-ylphenyl)-3-pyridinyl]acetonitrile (CID 82520396) is 2-[1-cyclopropyl-2-oxo-6-(4-propan-2-ylphenyl)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[1-cyclopropyl-2-oxo-6-(4-propan-2-ylphenyl)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[1-cyclopropyl-2-oxo-6-(4-propan-2-ylphenyl)-3-pyridinyl]acetonitrile is CC(C)c1ccc(-c2ccc(CC#N)c(=O)n2C2CC2)cc1.
What is the InChIKey of 2-[1-cyclopropyl-2-oxo-6-(4-propan-2-ylphenyl)-3-pyridinyl]acetonitrile?
The InChIKey is NOBJCHUMVUHMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-13(2)14-3-5-15(6-4-14)18-10-7-16(11-12-20)19(22)21(18)17-8-9-17/h3-7,10,13,17H,8-9,11H2,1-2H3.
What are the key properties of 2-[1-cyclopropyl-2-oxo-6-(4-propan-2-ylphenyl)-3-pyridinyl]acetonitrile?
2-[1-cyclopropyl-2-oxo-6-(4-propan-2-ylphenyl)-3-pyridinyl]acetonitrile has a molecular weight of 292.38 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropyl-2-oxo-6-(4-propan-2-ylphenyl)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 82520396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).