4-(methoxymethyl)-6-methyl-2-(2-methylanilino)pyridine-3-carbonitrile

C16H17N3O — CID 756386

IUPAC4-(methoxymethyl)-6-methyl-2-(2-methylanilino)pyridine-3-carbonitrile
SMILESCOCc1cc(C)nc(Nc2ccccc2C)c1C#N
InChIInChI=1S/C16H17N3O/c1-11-6-4-5-7-15(11)19-16-14(9-17)13(10-20-3)8-12(2)18-16/h4-8H,10H2,1-3H3,(H,18,19)
InChIKeyIMDGJVXCNFBHOK-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.46
Rot. Bonds4

About 4-(methoxymethyl)-6-methyl-2-(2-methylanilino)pyridine-3-carbonitrile

4-(methoxymethyl)-6-methyl-2-(2-methylanilino)pyridine-3-carbonitrile (PubChem CID 756386) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-(methoxymethyl)-6-methyl-2-(2-methylanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(methoxymethyl)-6-methyl-2-(2-methylanilino)pyridine-3-carbonitrile
PubChem CID756386
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name4-(methoxymethyl)-6-methyl-2-(2-methylanilino)pyridine-3-carbonitrile
SMILESCOCc1cc(C)nc(Nc2ccccc2C)c1C#N
InChIInChI=1S/C16H17N3O/c1-11-6-4-5-7-15(11)19-16-14(9-17)13(10-20-3)8-12(2)18-16/h4-8H,10H2,1-3H3,(H,18,19)
InChIKeyIMDGJVXCNFBHOK-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-6-methyl-2-(2-methylanilino)pyridine-3-carbonitrile?
The IUPAC name of 4-(methoxymethyl)-6-methyl-2-(2-methylanilino)pyridine-3-carbonitrile (CID 756386) is 4-(methoxymethyl)-6-methyl-2-(2-methylanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 4-(methoxymethyl)-6-methyl-2-(2-methylanilino)pyridine-3-carbonitrile?
The canonical SMILES for 4-(methoxymethyl)-6-methyl-2-(2-methylanilino)pyridine-3-carbonitrile is COCc1cc(C)nc(Nc2ccccc2C)c1C#N.
What is the InChIKey of 4-(methoxymethyl)-6-methyl-2-(2-methylanilino)pyridine-3-carbonitrile?
The InChIKey is IMDGJVXCNFBHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-6-4-5-7-15(11)19-16-14(9-17)13(10-20-3)8-12(2)18-16/h4-8H,10H2,1-3H3,(H,18,19).
What are the key properties of 4-(methoxymethyl)-6-methyl-2-(2-methylanilino)pyridine-3-carbonitrile?
4-(methoxymethyl)-6-methyl-2-(2-methylanilino)pyridine-3-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-6-methyl-2-(2-methylanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 756386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).