4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile

C16H17N3O — CID 81060534

IUPAC4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile
SMILESCOc1ccc(Nc2cc(C)nc(C)c2C#N)cc1C
InChIInChI=1S/C16H17N3O/c1-10-7-13(5-6-16(10)20-4)19-15-8-11(2)18-12(3)14(15)9-17/h5-8H,1-4H3,(H,18,19)
InChIKeySOBFWFJOASKUEH-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.63
Rot. Bonds3

About 4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile

4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 81060534) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile
PubChem CID81060534
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile
SMILESCOc1ccc(Nc2cc(C)nc(C)c2C#N)cc1C
InChIInChI=1S/C16H17N3O/c1-10-7-13(5-6-16(10)20-4)19-15-8-11(2)18-12(3)14(15)9-17/h5-8H,1-4H3,(H,18,19)
InChIKeySOBFWFJOASKUEH-UHFFFAOYSA-N
XLogP3.63
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile (CID 81060534) is 4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile is COc1ccc(Nc2cc(C)nc(C)c2C#N)cc1C.
What is the InChIKey of 4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is SOBFWFJOASKUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-10-7-13(5-6-16(10)20-4)19-15-8-11(2)18-12(3)14(15)9-17/h5-8H,1-4H3,(H,18,19).
What are the key properties of 4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile?
4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81060534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).