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

C16H17N3O — CID 62002636

IUPAC2-(3-methoxy-N-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
SMILESCOc1cccc(N(C)c2nc(C)cc(C)c2C#N)c1
InChIInChI=1S/C16H17N3O/c1-11-8-12(2)18-16(15(11)10-17)19(3)13-6-5-7-14(9-13)20-4/h5-9H,1-4H3
InChIKeyODCQTFWFHYFYPI-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.35
Rot. Bonds3

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

2-(3-methoxy-N-methylanilino)-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 62002636) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(3-methoxy-N-methylanilino)-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3-methoxy-N-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
PubChem CID62002636
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-(3-methoxy-N-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
SMILESCOc1cccc(N(C)c2nc(C)cc(C)c2C#N)c1
InChIInChI=1S/C16H17N3O/c1-11-8-12(2)18-16(15(11)10-17)19(3)13-6-5-7-14(9-13)20-4/h5-9H,1-4H3
InChIKeyODCQTFWFHYFYPI-UHFFFAOYSA-N
XLogP3.35
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-N-methylanilino)-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(3-methoxy-N-methylanilino)-4,6-dimethylpyridine-3-carbonitrile (CID 62002636) is 2-(3-methoxy-N-methylanilino)-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(3-methoxy-N-methylanilino)-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(3-methoxy-N-methylanilino)-4,6-dimethylpyridine-3-carbonitrile is COc1cccc(N(C)c2nc(C)cc(C)c2C#N)c1.
What is the InChIKey of 2-(3-methoxy-N-methylanilino)-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is ODCQTFWFHYFYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-8-12(2)18-16(15(11)10-17)19(3)13-6-5-7-14(9-13)20-4/h5-9H,1-4H3.
What are the key properties of 2-(3-methoxy-N-methylanilino)-4,6-dimethylpyridine-3-carbonitrile?
2-(3-methoxy-N-methylanilino)-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-N-methylanilino)-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 62002636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).