2-(ethylamino)-5-(4-methoxyphenyl)-6-methylpyridine-3-carbonitrile

C16H17N3O — CID 63271011

IUPAC2-(ethylamino)-5-(4-methoxyphenyl)-6-methylpyridine-3-carbonitrile
SMILESCCNc1nc(C)c(-c2ccc(OC)cc2)cc1C#N
InChIInChI=1S/C16H17N3O/c1-4-18-16-13(10-17)9-15(11(2)19-16)12-5-7-14(20-3)8-6-12/h5-9H,4H2,1-3H3,(H,18,19)
InChIKeyDVPJZLVXGBUQRY-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.37
Rot. Bonds4

About 2-(ethylamino)-5-(4-methoxyphenyl)-6-methylpyridine-3-carbonitrile

2-(ethylamino)-5-(4-methoxyphenyl)-6-methylpyridine-3-carbonitrile (PubChem CID 63271011) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(ethylamino)-5-(4-methoxyphenyl)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(ethylamino)-5-(4-methoxyphenyl)-6-methylpyridine-3-carbonitrile
PubChem CID63271011
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-(ethylamino)-5-(4-methoxyphenyl)-6-methylpyridine-3-carbonitrile
SMILESCCNc1nc(C)c(-c2ccc(OC)cc2)cc1C#N
InChIInChI=1S/C16H17N3O/c1-4-18-16-13(10-17)9-15(11(2)19-16)12-5-7-14(20-3)8-6-12/h5-9H,4H2,1-3H3,(H,18,19)
InChIKeyDVPJZLVXGBUQRY-UHFFFAOYSA-N
XLogP3.37
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(ethylamino)-6-methylpyridine-3-carbonitrile
CID 155040649
2-(2-hydroxyethylamino)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 7749474
5-(4-fluorophenyl)-2-hydrazinyl-6-methylpyridine-3-carbonitrile
CID 114834392
2-(ethylamino)-4-methoxybenzonitrile
CID 14388672
5-bromo-2-(2,5-dimethoxyphenyl)-N-ethyl-6-methylpyrimidin-4-amine
CID 66302187
2-[2-(dimethylamino)ethylamino]-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 7749478
6-methyl-2-propoxy-5-pyridin-4-ylpyridine-3-carbonitrile
CID 14640634
5-(4-methoxyphenyl)-6-methyl-N-propylpyridazin-3-amine
CID 63270970
4-fluoro-2-(4-methoxyphenyl)benzonitrile
CID 67042916
2-(ethylamino)-6-(3-methylphenyl)pyridine-3-carbonitrile
CID 62196307
2-(ethylamino)-6-(4-ethylphenyl)pyridine-3-carbonitrile
CID 55045466
6-(4-bromophenyl)-2-(ethylamino)pyridine-3-carbonitrile
CID 62198237

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-5-(4-methoxyphenyl)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-(ethylamino)-5-(4-methoxyphenyl)-6-methylpyridine-3-carbonitrile (CID 63271011) is 2-(ethylamino)-5-(4-methoxyphenyl)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(ethylamino)-5-(4-methoxyphenyl)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-(ethylamino)-5-(4-methoxyphenyl)-6-methylpyridine-3-carbonitrile is CCNc1nc(C)c(-c2ccc(OC)cc2)cc1C#N.
What is the InChIKey of 2-(ethylamino)-5-(4-methoxyphenyl)-6-methylpyridine-3-carbonitrile?
The InChIKey is DVPJZLVXGBUQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-4-18-16-13(10-17)9-15(11(2)19-16)12-5-7-14(20-3)8-6-12/h5-9H,4H2,1-3H3,(H,18,19).
What are the key properties of 2-(ethylamino)-5-(4-methoxyphenyl)-6-methylpyridine-3-carbonitrile?
2-(ethylamino)-5-(4-methoxyphenyl)-6-methylpyridine-3-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-5-(4-methoxyphenyl)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 63271011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).