2-(4,5-dimethoxy-2-methylanilino)pyridine-3-carbonitrile

C15H15N3O2 — CID 18194831

IUPAC2-(4,5-dimethoxy-2-methylanilino)pyridine-3-carbonitrile
SMILESCOc1cc(C)c(Nc2ncccc2C#N)cc1OC
InChIInChI=1S/C15H15N3O2/c1-10-7-13(19-2)14(20-3)8-12(10)18-15-11(9-16)5-4-6-17-15/h4-8H,1-3H3,(H,17,18)
InChIKeySIYGWWXZSPIWGF-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.02
Rot. Bonds4

About 2-(4,5-dimethoxy-2-methylanilino)pyridine-3-carbonitrile

2-(4,5-dimethoxy-2-methylanilino)pyridine-3-carbonitrile (PubChem CID 18194831) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(4,5-dimethoxy-2-methylanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4,5-dimethoxy-2-methylanilino)pyridine-3-carbonitrile
PubChem CID18194831
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-(4,5-dimethoxy-2-methylanilino)pyridine-3-carbonitrile
SMILESCOc1cc(C)c(Nc2ncccc2C#N)cc1OC
InChIInChI=1S/C15H15N3O2/c1-10-7-13(19-2)14(20-3)8-12(10)18-15-11(9-16)5-4-6-17-15/h4-8H,1-3H3,(H,17,18)
InChIKeySIYGWWXZSPIWGF-UHFFFAOYSA-N
XLogP3.02
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethoxyanilino)pyridine-3-carbonitrile
CID 24691895
N-(4,5-dimethoxy-2-methylphenyl)-3-nitropyridin-2-amine
CID 40677036
2-(2,5-dibromoanilino)pyridine-3-carbonitrile
CID 54955346
2-[[3-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]pyridine-3-carbonitrile
CID 133431142
2-(2-chloro-6-methylanilino)pyridine-3-carbonitrile
CID 66256473
2-(2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide
CID 42085793
2-(3,5-difluoroanilino)pyridine-3-carbonitrile
CID 24703722
2-(2,6-dibromoanilino)pyridine-3-carbonitrile
CID 107600351
2-(pyridin-3-ylamino)pyridine-3-carbonitrile
CID 24708070
2-(3-propan-2-ylanilino)pyridine-3-carbonitrile
CID 18194910
2-[(5-chloroquinolin-8-yl)amino]pyridine-3-carbonitrile
CID 116784510
3-[(3-bromo-2-pyridinyl)amino]-4-methylbenzonitrile
CID 62103790

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethoxy-2-methylanilino)pyridine-3-carbonitrile?
The IUPAC name of 2-(4,5-dimethoxy-2-methylanilino)pyridine-3-carbonitrile (CID 18194831) is 2-(4,5-dimethoxy-2-methylanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(4,5-dimethoxy-2-methylanilino)pyridine-3-carbonitrile?
The canonical SMILES for 2-(4,5-dimethoxy-2-methylanilino)pyridine-3-carbonitrile is COc1cc(C)c(Nc2ncccc2C#N)cc1OC.
What is the InChIKey of 2-(4,5-dimethoxy-2-methylanilino)pyridine-3-carbonitrile?
The InChIKey is SIYGWWXZSPIWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10-7-13(19-2)14(20-3)8-12(10)18-15-11(9-16)5-4-6-17-15/h4-8H,1-3H3,(H,17,18).
What are the key properties of 2-(4,5-dimethoxy-2-methylanilino)pyridine-3-carbonitrile?
2-(4,5-dimethoxy-2-methylanilino)pyridine-3-carbonitrile has a molecular weight of 269.30 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethoxy-2-methylanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 18194831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).