4-[3-(cyclopropylmethoxymethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C18H18N2O2 — CID 168584786

IUPAC4-[3-(cyclopropylmethoxymethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2cccc(COCC3CC3)c2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C18H18N2O2/c1-12-7-16(17(9-19)18(21)20-12)15-4-2-3-14(8-15)11-22-10-13-5-6-13/h2-4,7-8,13H,5-6,10-11H2,1H3,(H,20,21)
InChIKeyIIWOVLZNRZAMOX-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.15
Rot. Bonds5

About 4-[3-(cyclopropylmethoxymethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

4-[3-(cyclopropylmethoxymethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168584786) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-[3-(cyclopropylmethoxymethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[3-(cyclopropylmethoxymethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168584786
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name4-[3-(cyclopropylmethoxymethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2cccc(COCC3CC3)c2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C18H18N2O2/c1-12-7-16(17(9-19)18(21)20-12)15-4-2-3-14(8-15)11-22-10-13-5-6-13/h2-4,7-8,13H,5-6,10-11H2,1H3,(H,20,21)
InChIKeyIIWOVLZNRZAMOX-UHFFFAOYSA-N
XLogP3.15
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[3-(cyclopropylmethoxymethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-[3-(cyclopropylmethoxymethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393784
4-(3-cyanophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584520
4-[2-(cyclopropylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585130
4-[3-(3-hydroxyphenyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584648
6-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168587033
4-[3-[[butyl(methyl)amino]methyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584897
4-[3,5-bis(phenylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586733
3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoic acid
CID 168585684
4-[3-(2-fluorophenyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584670
2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetic acid
CID 168586784
4-(4-methoxy-3-phenylmethoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584640
4-[3-(4-cyanophenoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585760

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopropylmethoxymethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-[3-(cyclopropylmethoxymethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 168584786) is 4-[3-(cyclopropylmethoxymethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-[3-(cyclopropylmethoxymethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-[3-(cyclopropylmethoxymethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(-c2cccc(COCC3CC3)c2)c(C#N)c(=O)[nH]1.
What is the InChIKey of 4-[3-(cyclopropylmethoxymethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is IIWOVLZNRZAMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12-7-16(17(9-19)18(21)20-12)15-4-2-3-14(8-15)11-22-10-13-5-6-13/h2-4,7-8,13H,5-6,10-11H2,1H3,(H,20,21).
What are the key properties of 4-[3-(cyclopropylmethoxymethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-[3-(cyclopropylmethoxymethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 294.35 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopropylmethoxymethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168584786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).