4-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-2-methoxybenzonitrile

C17H19N3O — CID 106787782

IUPAC4-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-2-methoxybenzonitrile
SMILESCCc1cccnc1CNCc1ccc(C#N)c(OC)c1
InChIInChI=1S/C17H19N3O/c1-3-14-5-4-8-20-16(14)12-19-11-13-6-7-15(10-18)17(9-13)21-2/h4-9,19H,3,11-12H2,1-2H3
InChIKeyKPJPJLMMSRRECE-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.81
Rot. Bonds6

About 4-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-2-methoxybenzonitrile

4-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-2-methoxybenzonitrile (PubChem CID 106787782) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name4-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-2-methoxybenzonitrile
PubChem CID106787782
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-2-methoxybenzonitrile
SMILESCCc1cccnc1CNCc1ccc(C#N)c(OC)c1
InChIInChI=1S/C17H19N3O/c1-3-14-5-4-8-20-16(14)12-19-11-13-6-7-15(10-18)17(9-13)21-2/h4-9,19H,3,11-12H2,1-2H3
InChIKeyKPJPJLMMSRRECE-UHFFFAOYSA-N
XLogP2.81
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-2-methoxybenzonitrile 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

4-[[(3-ethyl-2-pyridinyl)methylamino]methyl]pyridine-2-carbonitrile
CID 82738010
4-[[(4-cyanophenyl)methylamino]methyl]-2-methoxybenzonitrile
CID 106787146
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine
CID 103172673
3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-5-fluorobenzonitrile
CID 82738847
1-(3,5-dimethylphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82731760
5-[[[2-(hydroxymethyl)phenyl]methylamino]methyl]-2-methoxybenzonitrile
CID 111466492
4-[(but-2-ynylamino)methyl]-2-methoxybenzonitrile
CID 106787840
2-methoxy-4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzonitrile
CID 106787213
2-methoxy-4-[(2-phenoxyethylamino)methyl]benzonitrile
CID 106787317
1-(3-ethoxy-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305644
2-[(4-cyano-3-methoxyphenyl)methylamino]-N-ethylacetamide
CID 106787110
2-methoxy-4-[[(1-methylpyrazol-3-yl)methylamino]methyl]benzonitrile
CID 106787787

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-2-methoxybenzonitrile?
The IUPAC name of 4-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-2-methoxybenzonitrile (CID 106787782) is 4-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-2-methoxybenzonitrile.
What is the SMILES notation for 4-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-2-methoxybenzonitrile?
The canonical SMILES for 4-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-2-methoxybenzonitrile is CCc1cccnc1CNCc1ccc(C#N)c(OC)c1.
What is the InChIKey of 4-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-2-methoxybenzonitrile?
The InChIKey is KPJPJLMMSRRECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-3-14-5-4-8-20-16(14)12-19-11-13-6-7-15(10-18)17(9-13)21-2/h4-9,19H,3,11-12H2,1-2H3.
What are the key properties of 4-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-2-methoxybenzonitrile?
4-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-2-methoxybenzonitrile has a molecular weight of 281.36 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-2-methoxybenzonitrile is sourced from PubChem (CID 106787782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).