4-[4-(cyclopropylmethoxy)phenyl]-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile

C21H24N2O2 — CID 70689923

IUPAC4-[4-(cyclopropylmethoxy)phenyl]-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
SMILESCC(C)CCn1ccc(-c2ccc(OCC3CC3)cc2)c(C#N)c1=O
InChIInChI=1S/C21H24N2O2/c1-15(2)9-11-23-12-10-19(20(13-22)21(23)24)17-5-7-18(8-6-17)25-14-16-3-4-16/h5-8,10,12,15-16H,3-4,9,11,14H2,1-2H3
InChIKeyCYOZSBJDLJUVSN-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.22
Rot. Bonds7

About 4-[4-(cyclopropylmethoxy)phenyl]-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile

4-[4-(cyclopropylmethoxy)phenyl]-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile (PubChem CID 70689923) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-[4-(cyclopropylmethoxy)phenyl]-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[4-(cyclopropylmethoxy)phenyl]-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
PubChem CID70689923
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name4-[4-(cyclopropylmethoxy)phenyl]-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
SMILESCC(C)CCn1ccc(-c2ccc(OCC3CC3)cc2)c(C#N)c1=O
InChIInChI=1S/C21H24N2O2/c1-15(2)9-11-23-12-10-19(20(13-22)21(23)24)17-5-7-18(8-6-17)25-14-16-3-4-16/h5-8,10,12,15-16H,3-4,9,11,14H2,1-2H3
InChIKeyCYOZSBJDLJUVSN-UHFFFAOYSA-N
XLogP4.22
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropylmethoxy)phenyl]-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 4-[4-(cyclopropylmethoxy)phenyl]-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile (CID 70689923) is 4-[4-(cyclopropylmethoxy)phenyl]-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 4-[4-(cyclopropylmethoxy)phenyl]-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 4-[4-(cyclopropylmethoxy)phenyl]-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile is CC(C)CCn1ccc(-c2ccc(OCC3CC3)cc2)c(C#N)c1=O.
What is the InChIKey of 4-[4-(cyclopropylmethoxy)phenyl]-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is CYOZSBJDLJUVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15(2)9-11-23-12-10-19(20(13-22)21(23)24)17-5-7-18(8-6-17)25-14-16-3-4-16/h5-8,10,12,15-16H,3-4,9,11,14H2,1-2H3.
What are the key properties of 4-[4-(cyclopropylmethoxy)phenyl]-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile?
4-[4-(cyclopropylmethoxy)phenyl]-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 336.44 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropylmethoxy)phenyl]-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 70689923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).