2-amino-4-(4-methoxyphenyl)-5-(2-methylpropyl)-6-prop-2-enoxypyridine-3-carbonitrile

C20H23N3O2 — CID 25180166

IUPAC2-amino-4-(4-methoxyphenyl)-5-(2-methylpropyl)-6-prop-2-enoxypyridine-3-carbonitrile
SMILESC=CCOc1nc(N)c(C#N)c(-c2ccc(OC)cc2)c1CC(C)C
InChIInChI=1S/C20H23N3O2/c1-5-10-25-20-16(11-13(2)3)18(17(12-21)19(22)23-20)14-6-8-15(24-4)9-7-14/h5-9,13H,1,10-11H2,2-4H3,(H2,22,23)
InChIKeyGZAAIBOSXHGVAG-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.97
Rot. Bonds7

About 2-amino-4-(4-methoxyphenyl)-5-(2-methylpropyl)-6-prop-2-enoxypyridine-3-carbonitrile

2-amino-4-(4-methoxyphenyl)-5-(2-methylpropyl)-6-prop-2-enoxypyridine-3-carbonitrile (PubChem CID 25180166) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-amino-4-(4-methoxyphenyl)-5-(2-methylpropyl)-6-prop-2-enoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-methoxyphenyl)-5-(2-methylpropyl)-6-prop-2-enoxypyridine-3-carbonitrile
PubChem CID25180166
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-amino-4-(4-methoxyphenyl)-5-(2-methylpropyl)-6-prop-2-enoxypyridine-3-carbonitrile
SMILESC=CCOc1nc(N)c(C#N)c(-c2ccc(OC)cc2)c1CC(C)C
InChIInChI=1S/C20H23N3O2/c1-5-10-25-20-16(11-13(2)3)18(17(12-21)19(22)23-20)14-6-8-15(24-4)9-7-14/h5-9,13H,1,10-11H2,2-4H3,(H2,22,23)
InChIKeyGZAAIBOSXHGVAG-UHFFFAOYSA-N
XLogP3.97
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-amino-4-(4-methoxyphenyl)-5-(2-methylpropyl)-6-prop-2-enoxypyridine-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-(4-methoxyphenyl)-6-(methylamino)-5-(2-methylpropyl)pyridine-3-carbonitrile
CID 25179420
6-amino-3,5-dicyano-4-(4-prop-2-enoxyphenyl)pyridine-2-thiolate
CID 58739399
methyl 2-[[6-amino-3,5-dicyano-4-(4-prop-2-enoxyphenyl)-2-pyridinyl]sulfanyl]propanoate
CID 58739929
2-amino-5-ethyl-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile
CID 856266
2-amino-6-ethylsulfanyl-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
CID 12826099
2-amino-6-(2,3-dihydroxypropylsulfanyl)-4-(4-prop-2-enoxyphenyl)pyridine-3,5-dicarbonitrile
CID 58739729
2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
CID 11255849
2-amino-6-(4-methoxyphenyl)pyridine-3,4,5-tricarbonitrile
CID 12736666
2-amino-4-(3-methoxyphenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile
CID 5088737
2-amino-6-(1H-imidazol-2-ylmethylsulfanyl)-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
CID 11164346
2-amino-6-(2-oxooxolan-3-yl)sulfanyl-4-(4-prop-2-enoxyphenyl)pyridine-3,5-dicarbonitrile
CID 58739394
2-amino-5,6-dimethyl-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile
CID 4633632

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methoxyphenyl)-5-(2-methylpropyl)-6-prop-2-enoxypyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-methoxyphenyl)-5-(2-methylpropyl)-6-prop-2-enoxypyridine-3-carbonitrile (CID 25180166) is 2-amino-4-(4-methoxyphenyl)-5-(2-methylpropyl)-6-prop-2-enoxypyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-methoxyphenyl)-5-(2-methylpropyl)-6-prop-2-enoxypyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-methoxyphenyl)-5-(2-methylpropyl)-6-prop-2-enoxypyridine-3-carbonitrile is C=CCOc1nc(N)c(C#N)c(-c2ccc(OC)cc2)c1CC(C)C.
What is the InChIKey of 2-amino-4-(4-methoxyphenyl)-5-(2-methylpropyl)-6-prop-2-enoxypyridine-3-carbonitrile?
The InChIKey is GZAAIBOSXHGVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-5-10-25-20-16(11-13(2)3)18(17(12-21)19(22)23-20)14-6-8-15(24-4)9-7-14/h5-9,13H,1,10-11H2,2-4H3,(H2,22,23).
What are the key properties of 2-amino-4-(4-methoxyphenyl)-5-(2-methylpropyl)-6-prop-2-enoxypyridine-3-carbonitrile?
2-amino-4-(4-methoxyphenyl)-5-(2-methylpropyl)-6-prop-2-enoxypyridine-3-carbonitrile has a molecular weight of 337.42 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methoxyphenyl)-5-(2-methylpropyl)-6-prop-2-enoxypyridine-3-carbonitrile is sourced from PubChem (CID 25180166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).