2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyridine-3-carbonitrile

C16H17N3O2 — CID 63362749

IUPAC2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyridine-3-carbonitrile
SMILESCOc1ccc(CNc2nc(C)ccc2C#N)c(OC)c1
InChIInChI=1S/C16H17N3O2/c1-11-4-5-12(9-17)16(19-11)18-10-13-6-7-14(20-2)8-15(13)21-3/h4-8H,10H2,1-3H3,(H,18,19)
InChIKeyBIGBRTYMBJRJDG-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.89
Rot. Bonds5

About 2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyridine-3-carbonitrile

2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyridine-3-carbonitrile (PubChem CID 63362749) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyridine-3-carbonitrile
PubChem CID63362749
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyridine-3-carbonitrile
SMILESCOc1ccc(CNc2nc(C)ccc2C#N)c(OC)c1
InChIInChI=1S/C16H17N3O2/c1-11-4-5-12(9-17)16(19-11)18-10-13-6-7-14(20-2)8-15(13)21-3/h4-8H,10H2,1-3H3,(H,18,19)
InChIKeyBIGBRTYMBJRJDG-UHFFFAOYSA-N
XLogP2.89
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,4-dimethoxyphenyl)methylamino]-4-methylbenzonitrile
CID 63362795
2-[(2,4-difluorophenyl)methylamino]-6-methylpyridine-3-carbonitrile
CID 62227755
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 115633925
N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 63363217
5-[(2,4-dimethoxyphenyl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63757687
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline
CID 775457
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methoxypyridin-2-amine
CID 155166582
2-[4-[(2,4-dimethoxyphenyl)methylamino]-2-[(2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-6-yl]benzonitrile
CID 175980835
6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]pyridine-2,3,4-triamine
CID 154666347
3-[(2,4-dimethoxyphenyl)methylamino]propanenitrile
CID 28728146

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyridine-3-carbonitrile (CID 63362749) is 2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyridine-3-carbonitrile is COc1ccc(CNc2nc(C)ccc2C#N)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyridine-3-carbonitrile?
The InChIKey is BIGBRTYMBJRJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-4-5-12(9-17)16(19-11)18-10-13-6-7-14(20-2)8-15(13)21-3/h4-8H,10H2,1-3H3,(H,18,19).
What are the key properties of 2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyridine-3-carbonitrile?
2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyridine-3-carbonitrile has a molecular weight of 283.33 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 63362749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).