2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridine-4-carbonitrile

C17H19N3O — CID 65485931

IUPAC2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridine-4-carbonitrile
SMILESCOc1ccccc1CC(C)N(C)c1cc(C#N)ccn1
InChIInChI=1S/C17H19N3O/c1-13(10-15-6-4-5-7-16(15)21-3)20(2)17-11-14(12-18)8-9-19-17/h4-9,11,13H,10H2,1-3H3
InChIKeyDZIZIIFZGNMNBF-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.03
Rot. Bonds5

About 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridine-4-carbonitrile

2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridine-4-carbonitrile (PubChem CID 65485931) 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-4-carbonitrile.

Molecular Properties

Compound Name2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridine-4-carbonitrile
PubChem CID65485931
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridine-4-carbonitrile
SMILESCOc1ccccc1CC(C)N(C)c1cc(C#N)ccn1
InChIInChI=1S/C17H19N3O/c1-13(10-15-6-4-5-7-16(15)21-3)20(2)17-11-14(12-18)8-9-19-17/h4-9,11,13H,10H2,1-3H3
InChIKeyDZIZIIFZGNMNBF-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

Analyze 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridine-4-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-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-4-pyridinyl]methanol
CID 65487641
2-[butan-2-yl(methyl)amino]pyridine-4-carbonitrile
CID 43273063
3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridazine-4-carbonitrile
CID 80505836
2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridine-3-carbonitrile
CID 65488782
2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N-methylpyrazine-2,5-diamine
CID 80653405
2-(aminomethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyridin-4-amine
CID 65484470
3-[1-hydroxy-2-(2-methoxyphenyl)ethyl]benzonitrile
CID 115481188
4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyridine-3,4-diamine
CID 65485063
3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propanenitrile
CID 65487029
4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80829895
4-iodo-1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbenzene-1,2-diamine
CID 66080150
2-[(2-aminophenyl)methyl-ethylamino]pyridine-4-carbonitrile
CID 60876115

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridine-4-carbonitrile?
The IUPAC name of 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridine-4-carbonitrile (CID 65485931) is 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridine-4-carbonitrile is COc1ccccc1CC(C)N(C)c1cc(C#N)ccn1.
What is the InChIKey of 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridine-4-carbonitrile?
The InChIKey is DZIZIIFZGNMNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13(10-15-6-4-5-7-16(15)21-3)20(2)17-11-14(12-18)8-9-19-17/h4-9,11,13H,10H2,1-3H3.
What are the key properties of 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridine-4-carbonitrile?
2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridine-4-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-4-carbonitrile is sourced from PubChem (CID 65485931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).