5-[(2-methoxyphenyl)methyl-methylamino]pyridine-2-carbonitrile

C15H15N3O — CID 79838727

IUPAC5-[(2-methoxyphenyl)methyl-methylamino]pyridine-2-carbonitrile
SMILESCOc1ccccc1CN(C)c1ccc(C#N)nc1
InChIInChI=1S/C15H15N3O/c1-18(14-8-7-13(9-16)17-10-14)11-12-5-3-4-6-15(12)19-2/h3-8,10H,11H2,1-2H3
InChIKeyFEPGWOSLCGREPO-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.60
Rot. Bonds4

About 5-[(2-methoxyphenyl)methyl-methylamino]pyridine-2-carbonitrile

5-[(2-methoxyphenyl)methyl-methylamino]pyridine-2-carbonitrile (PubChem CID 79838727) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)methyl-methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)methyl-methylamino]pyridine-2-carbonitrile
PubChem CID79838727
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name5-[(2-methoxyphenyl)methyl-methylamino]pyridine-2-carbonitrile
SMILESCOc1ccccc1CN(C)c1ccc(C#N)nc1
InChIInChI=1S/C15H15N3O/c1-18(14-8-7-13(9-16)17-10-14)11-12-5-3-4-6-15(12)19-2/h3-8,10H,11H2,1-2H3
InChIKeyFEPGWOSLCGREPO-UHFFFAOYSA-N
XLogP2.60
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-[(2-methoxyphenyl)methyl-methylamino]benzonitrile
CID 115499202
N-[(2-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-2-amine
CID 171327101
5-[(5-amino-2-chlorophenyl)methyl-methylamino]pyridine-2-carbonitrile
CID 115490495
2-[(2-methoxyphenyl)methyl-methylamino]propanenitrile
CID 60646378
4-[(2-methoxyphenyl)methyl-methylamino]benzenecarbothioamide
CID 61418085
[6-[(2-methoxyphenyl)methyl-methylamino]pyrazin-2-yl]methanol
CID 66466375
5-[2-cyanopropyl(methyl)amino]pyridine-2-carbonitrile
CID 115487373
5-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-2-carbonitrile
CID 115487708
2-[(4-fluoro-N-methylanilino)methyl]benzonitrile
CID 60964779
5-[2-aminopropyl(methyl)amino]pyridine-2-carbonitrile
CID 130563574
1-[2-amino-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanone
CID 104612473
3-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 61418333

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)methyl-methylamino]pyridine-2-carbonitrile?
The IUPAC name of 5-[(2-methoxyphenyl)methyl-methylamino]pyridine-2-carbonitrile (CID 79838727) is 5-[(2-methoxyphenyl)methyl-methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(2-methoxyphenyl)methyl-methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(2-methoxyphenyl)methyl-methylamino]pyridine-2-carbonitrile is COc1ccccc1CN(C)c1ccc(C#N)nc1.
What is the InChIKey of 5-[(2-methoxyphenyl)methyl-methylamino]pyridine-2-carbonitrile?
The InChIKey is FEPGWOSLCGREPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-18(14-8-7-13(9-16)17-10-14)11-12-5-3-4-6-15(12)19-2/h3-8,10H,11H2,1-2H3.
What are the key properties of 5-[(2-methoxyphenyl)methyl-methylamino]pyridine-2-carbonitrile?
5-[(2-methoxyphenyl)methyl-methylamino]pyridine-2-carbonitrile has a molecular weight of 253.31 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenyl)methyl-methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 79838727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).