2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridine-3-carbonitrile

C17H19N3O — CID 65488782

IUPAC2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridine-3-carbonitrile
SMILESCOc1ccccc1CC(C)N(C)c1ncccc1C#N
InChIInChI=1S/C17H19N3O/c1-13(11-14-7-4-5-9-16(14)21-3)20(2)17-15(12-18)8-6-10-19-17/h4-10,13H,11H2,1-3H3
InChIKeyOIXSKPDMRAFOBC-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.03
Rot. Bonds5

About 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridine-3-carbonitrile

2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridine-3-carbonitrile (PubChem CID 65488782) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridine-3-carbonitrile
PubChem CID65488782
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridine-3-carbonitrile
SMILESCOc1ccccc1CC(C)N(C)c1ncccc1C#N
InChIInChI=1S/C17H19N3O/c1-13(11-14-7-4-5-9-16(14)21-3)20(2)17-15(12-18)8-6-10-19-17/h4-10,13H,11H2,1-3H3
InChIKeyOIXSKPDMRAFOBC-UHFFFAOYSA-N
XLogP3.03
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridazine-4-carbonitrile
CID 80505836
2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridine-4-carbonitrile
CID 65485931
2-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pyridine-3-carbonitrile
CID 133356712
4-(chloromethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyridin-3-amine
CID 105067487
4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80829895
2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N-methylpyrazine-2,5-diamine
CID 80653405
4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyridine-3,4-diamine
CID 65485063
5-bromo-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyrimidine-2,4-diamine
CID 80829894
3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propanenitrile
CID 65487029
2-(aminomethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyridin-4-amine
CID 65484470
2-[1-(4-fluorophenyl)ethyl-methylamino]pyridine-3-carbonitrile
CID 134032175
[2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-4-pyridinyl]methanol
CID 65487641

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridine-3-carbonitrile (CID 65488782) is 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridine-3-carbonitrile is COc1ccccc1CC(C)N(C)c1ncccc1C#N.
What is the InChIKey of 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridine-3-carbonitrile?
The InChIKey is OIXSKPDMRAFOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13(11-14-7-4-5-9-16(14)21-3)20(2)17-15(12-18)8-6-10-19-17/h4-10,13H,11H2,1-3H3.
What are the key properties of 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridine-3-carbonitrile?
2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridine-3-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 65488782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).