4-[4-[[1-(2-oxopropyl)cyclopropyl]methoxy]-3-pyridinyl]benzonitrile

C19H18N2O2 — CID 130328155

IUPAC4-[4-[[1-(2-oxopropyl)cyclopropyl]methoxy]-3-pyridinyl]benzonitrile
SMILESCC(=O)CC1(COc2ccncc2-c2ccc(C#N)cc2)CC1
InChIInChI=1S/C19H18N2O2/c1-14(22)10-19(7-8-19)13-23-18-6-9-21-12-17(18)16-4-2-15(11-20)3-5-16/h2-6,9,12H,7-8,10,13H2,1H3
InChIKeyOYSUOMHMEOFNTP-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.76
Rot. Bonds6

About 4-[4-[[1-(2-oxopropyl)cyclopropyl]methoxy]-3-pyridinyl]benzonitrile

4-[4-[[1-(2-oxopropyl)cyclopropyl]methoxy]-3-pyridinyl]benzonitrile (PubChem CID 130328155) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-[4-[[1-(2-oxopropyl)cyclopropyl]methoxy]-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[[1-(2-oxopropyl)cyclopropyl]methoxy]-3-pyridinyl]benzonitrile
PubChem CID130328155
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name4-[4-[[1-(2-oxopropyl)cyclopropyl]methoxy]-3-pyridinyl]benzonitrile
SMILESCC(=O)CC1(COc2ccncc2-c2ccc(C#N)cc2)CC1
InChIInChI=1S/C19H18N2O2/c1-14(22)10-19(7-8-19)13-23-18-6-9-21-12-17(18)16-4-2-15(11-20)3-5-16/h2-6,9,12H,7-8,10,13H2,1H3
InChIKeyOYSUOMHMEOFNTP-UHFFFAOYSA-N
XLogP3.76
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-fluoro-2-[[1-(2-oxopropyl)cyclopropyl]methylsulfanyl]phenyl]benzonitrile;methane;4-[4-(2-methylpentan-2-ylsulfanyl)-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[[1-(2-oxopropyl)cyclopropyl]methylsulfanyl]-3-pyridinyl]benzonitrile
CID 158879437
2-[1-[(2-phenylphenoxy)methyl]cyclopropyl]acetic acid
CID 65497398
2-[1-[[2-(4-cyanophenyl)phenyl]sulfanylmethyl]cyclopropyl]acetic acid
CID 118902133
4-(3-sulfanyl-4-pyridinyl)benzonitrile
CID 67997061
ethane;4-(3-oxobutoxy)benzonitrile
CID 91075303
ethyl 2-[1-[[2-(4-cyanophenyl)phenyl]sulfonylmethyl]cyclopropyl]acetate
CID 130328171
3-[[1-(cyanomethyl)cyclopropyl]methoxy]-4-methylbenzonitrile
CID 107658063
(2R)-2-[4-(4-cyanophenyl)isoquinolin-6-yl]oxypropanoic acid
CID 122582114
2-[2-(4-cyanophenyl)pyrimidin-5-yl]oxyethyl 2-methylprop-2-enoate
CID 102068469
2-(4-cyanophenoxy)-N-pyridin-3-ylacetamide
CID 24707250
ethane;4-pyridin-4-ylbenzonitrile
CID 142098064
4-pyridin-4-ylbenzonitrile
CID 4184629

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[1-(2-oxopropyl)cyclopropyl]methoxy]-3-pyridinyl]benzonitrile?
The IUPAC name of 4-[4-[[1-(2-oxopropyl)cyclopropyl]methoxy]-3-pyridinyl]benzonitrile (CID 130328155) is 4-[4-[[1-(2-oxopropyl)cyclopropyl]methoxy]-3-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[4-[[1-(2-oxopropyl)cyclopropyl]methoxy]-3-pyridinyl]benzonitrile?
The canonical SMILES for 4-[4-[[1-(2-oxopropyl)cyclopropyl]methoxy]-3-pyridinyl]benzonitrile is CC(=O)CC1(COc2ccncc2-c2ccc(C#N)cc2)CC1.
What is the InChIKey of 4-[4-[[1-(2-oxopropyl)cyclopropyl]methoxy]-3-pyridinyl]benzonitrile?
The InChIKey is OYSUOMHMEOFNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-14(22)10-19(7-8-19)13-23-18-6-9-21-12-17(18)16-4-2-15(11-20)3-5-16/h2-6,9,12H,7-8,10,13H2,1H3.
What are the key properties of 4-[4-[[1-(2-oxopropyl)cyclopropyl]methoxy]-3-pyridinyl]benzonitrile?
4-[4-[[1-(2-oxopropyl)cyclopropyl]methoxy]-3-pyridinyl]benzonitrile has a molecular weight of 306.37 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[1-(2-oxopropyl)cyclopropyl]methoxy]-3-pyridinyl]benzonitrile is sourced from PubChem (CID 130328155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).