5-[(2-methoxy-1-phenylethyl)amino]pyridine-2-carbonitrile

C15H15N3O — CID 86781901

IUPAC5-[(2-methoxy-1-phenylethyl)amino]pyridine-2-carbonitrile
SMILESCOCC(Nc1ccc(C#N)nc1)c1ccccc1
InChIInChI=1S/C15H15N3O/c1-19-11-15(12-5-3-2-4-6-12)18-14-8-7-13(9-16)17-10-14/h2-8,10,15,18H,11H2,1H3
InChIKeyZHCZEBKMXFZPCH-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.75
Rot. Bonds5

About 5-[(2-methoxy-1-phenylethyl)amino]pyridine-2-carbonitrile

5-[(2-methoxy-1-phenylethyl)amino]pyridine-2-carbonitrile (PubChem CID 86781901) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 5-[(2-methoxy-1-phenylethyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(2-methoxy-1-phenylethyl)amino]pyridine-2-carbonitrile
PubChem CID86781901
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name5-[(2-methoxy-1-phenylethyl)amino]pyridine-2-carbonitrile
SMILESCOCC(Nc1ccc(C#N)nc1)c1ccccc1
InChIInChI=1S/C15H15N3O/c1-19-11-15(12-5-3-2-4-6-12)18-14-8-7-13(9-16)17-10-14/h2-8,10,15,18H,11H2,1H3
InChIKeyZHCZEBKMXFZPCH-UHFFFAOYSA-N
XLogP2.75
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(2-methoxy-1-phenylethyl)amino]pyridine-2-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

5-[(1-phenyl-2-phenylmethoxyethyl)amino]pyridine-2-carbonitrile
CID 133346332
5-(1-methoxybutan-2-ylamino)pyridine-2-carbonitrile
CID 115487722
4-butan-2-yl-N-(2-methoxy-1-phenylethyl)aniline
CID 103463690
5-(butan-2-ylamino)pyridine-2-carbonitrile
CID 79839653
3-bromo-N-(2-methoxy-1-phenylethyl)-4-methylaniline
CID 103464261
N-(2-methoxy-1-phenylethyl)-4-methylpyridin-3-amine
CID 103464259
4-(difluoromethylsulfanyl)-N-(2-methoxy-1-phenylethyl)aniline
CID 103463648
3-chloro-4-ethoxy-N-(2-methoxy-1-phenylethyl)aniline
CID 103464030
N-(2-methoxy-1-phenylethyl)-4,6-dimethylpyrimidin-2-amine
CID 133403156
3-bromo-N-(2-methoxy-1-phenylethyl)aniline
CID 103463420
3-bromo-4-fluoro-N-(2-methoxy-1-phenylethyl)aniline
CID 103464654
5-(2,2,3-trimethylbutylamino)pyridine-2-carbonitrile
CID 102609041

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-1-phenylethyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[(2-methoxy-1-phenylethyl)amino]pyridine-2-carbonitrile (CID 86781901) is 5-[(2-methoxy-1-phenylethyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(2-methoxy-1-phenylethyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(2-methoxy-1-phenylethyl)amino]pyridine-2-carbonitrile is COCC(Nc1ccc(C#N)nc1)c1ccccc1.
What is the InChIKey of 5-[(2-methoxy-1-phenylethyl)amino]pyridine-2-carbonitrile?
The InChIKey is ZHCZEBKMXFZPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-19-11-15(12-5-3-2-4-6-12)18-14-8-7-13(9-16)17-10-14/h2-8,10,15,18H,11H2,1H3.
What are the key properties of 5-[(2-methoxy-1-phenylethyl)amino]pyridine-2-carbonitrile?
5-[(2-methoxy-1-phenylethyl)amino]pyridine-2-carbonitrile has a molecular weight of 253.31 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-1-phenylethyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 86781901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).