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

C18H18N2O2 — CID 82517897

IUPAC2-[1-cyclopropyl-6-(4-ethoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile
SMILESCCOc1ccc(-c2ccc(CC#N)c(=O)n2C2CC2)cc1
InChIInChI=1S/C18H18N2O2/c1-2-22-16-8-3-13(4-9-16)17-10-5-14(11-12-19)18(21)20(17)15-6-7-15/h3-5,8-10,15H,2,6-7,11H2,1H3
InChIKeyXORZYQIVJOFANV-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.31
Rot. Bonds5

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

2-[1-cyclopropyl-6-(4-ethoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile (PubChem CID 82517897) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[1-cyclopropyl-6-(4-ethoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[1-cyclopropyl-6-(4-ethoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile
PubChem CID82517897
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-[1-cyclopropyl-6-(4-ethoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile
SMILESCCOc1ccc(-c2ccc(CC#N)c(=O)n2C2CC2)cc1
InChIInChI=1S/C18H18N2O2/c1-2-22-16-8-3-13(4-9-16)17-10-5-14(11-12-19)18(21)20(17)15-6-7-15/h3-5,8-10,15H,2,6-7,11H2,1H3
InChIKeyXORZYQIVJOFANV-UHFFFAOYSA-N
XLogP3.31
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(4-ethoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]acetonitrile
CID 82517950
1-cyclopropyl-6-(4-fluorophenyl)-3-(methylaminomethyl)pyridin-2-one
CID 82519547
1-cyclopropyl-6-(2-ethoxyphenyl)-3-(sulfanylmethyl)pyridin-2-one
CID 82518801
3-(chloromethyl)-6-(4-ethoxyphenyl)-1-methylpyridin-2-one
CID 82517951
6-(4-ethoxyphenyl)-1,3-dimethylpyridin-2-one
CID 149000384
2-[6-(4-ethoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetic acid
CID 82517930
2-[3-(4-ethoxyphenyl)-1-methylpyrazol-4-yl]acetonitrile
CID 39097031
2-(4-ethoxy-2-fluorophenyl)acetonitrile
CID 84767796
6-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile
CID 82099318
6-(4-ethoxyphenyl)-1-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one
CID 82517956
2-[1-tert-butyl-3-(4-ethoxyphenyl)pyrazol-4-yl]acetonitrile
CID 39097055
2-[4-(1-ethyl-5-methyl-6-oxo-2-pyridinyl)phenoxy]acetonitrile
CID 158452584

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropyl-6-(4-ethoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[1-cyclopropyl-6-(4-ethoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile (CID 82517897) is 2-[1-cyclopropyl-6-(4-ethoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[1-cyclopropyl-6-(4-ethoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[1-cyclopropyl-6-(4-ethoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile is CCOc1ccc(-c2ccc(CC#N)c(=O)n2C2CC2)cc1.
What is the InChIKey of 2-[1-cyclopropyl-6-(4-ethoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile?
The InChIKey is XORZYQIVJOFANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-2-22-16-8-3-13(4-9-16)17-10-5-14(11-12-19)18(21)20(17)15-6-7-15/h3-5,8-10,15H,2,6-7,11H2,1H3.
What are the key properties of 2-[1-cyclopropyl-6-(4-ethoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile?
2-[1-cyclopropyl-6-(4-ethoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile has a molecular weight of 294.35 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropyl-6-(4-ethoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile is sourced from PubChem (CID 82517897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).