2-[(2-chloro-6-methoxyphenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile

C16H16ClN3O — CID 103292554

IUPAC2-[(2-chloro-6-methoxyphenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCOc1cccc(Cl)c1CNc1nc(C)cc(C)c1C#N
InChIInChI=1S/C16H16ClN3O/c1-10-7-11(2)20-16(12(10)8-18)19-9-13-14(17)5-4-6-15(13)21-3/h4-7H,9H2,1-3H3,(H,19,20)
InChIKeyYPNYXXWAVIZADK-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.84
Rot. Bonds4

About 2-[(2-chloro-6-methoxyphenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile

2-[(2-chloro-6-methoxyphenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 103292554) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 2-[(2-chloro-6-methoxyphenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2-chloro-6-methoxyphenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
PubChem CID103292554
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name2-[(2-chloro-6-methoxyphenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCOc1cccc(Cl)c1CNc1nc(C)cc(C)c1C#N
InChIInChI=1S/C16H16ClN3O/c1-10-7-11(2)20-16(12(10)8-18)19-9-13-14(17)5-4-6-15(13)21-3/h4-7H,9H2,1-3H3,(H,19,20)
InChIKeyYPNYXXWAVIZADK-UHFFFAOYSA-N
XLogP3.84
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-amino-4-methoxyphenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 60971500
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyridin-2-amine
CID 104624373
2-[(2-chloro-6-methoxyphenyl)methylamino]-5-methylbenzonitrile
CID 107927942
4-N-[(2-chloro-6-methoxyphenyl)methyl]-5-methylpyrimidine-2,4-diamine
CID 103293639
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyrazin-2-amine
CID 103292832
5-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbonitrile
CID 103292558
4-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbonitrile
CID 103292568
N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 103293691
2-[(3-aminophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 62500425
N-[(2-chloro-6-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 103292944
2-N-[(2-chloro-6-methoxyphenyl)methyl]-6-methoxypyridine-2,3-diamine
CID 103291754
6-chloro-2-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-3-carboxylic acid
CID 103292726

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-methoxyphenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[(2-chloro-6-methoxyphenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile (CID 103292554) is 2-[(2-chloro-6-methoxyphenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2-chloro-6-methoxyphenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(2-chloro-6-methoxyphenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile is COc1cccc(Cl)c1CNc1nc(C)cc(C)c1C#N.
What is the InChIKey of 2-[(2-chloro-6-methoxyphenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is YPNYXXWAVIZADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-10-7-11(2)20-16(12(10)8-18)19-9-13-14(17)5-4-6-15(13)21-3/h4-7H,9H2,1-3H3,(H,19,20).
What are the key properties of 2-[(2-chloro-6-methoxyphenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile?
2-[(2-chloro-6-methoxyphenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 301.78 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-methoxyphenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 103292554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).