3-amino-2-(2,5-dimethoxyanilino)pyridine-4-carbonitrile

C14H14N4O2 — CID 82817759

IUPAC3-amino-2-(2,5-dimethoxyanilino)pyridine-4-carbonitrile
SMILESCOc1ccc(OC)c(Nc2nccc(C#N)c2N)c1
InChIInChI=1S/C14H14N4O2/c1-19-10-3-4-12(20-2)11(7-10)18-14-13(16)9(8-15)5-6-17-14/h3-7H,16H2,1-2H3,(H,17,18)
InChIKeyQFNYKVFCTOUQTC-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.30
Rot. Bonds4

About 3-amino-2-(2,5-dimethoxyanilino)pyridine-4-carbonitrile

3-amino-2-(2,5-dimethoxyanilino)pyridine-4-carbonitrile (PubChem CID 82817759) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-amino-2-(2,5-dimethoxyanilino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-(2,5-dimethoxyanilino)pyridine-4-carbonitrile
PubChem CID82817759
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name3-amino-2-(2,5-dimethoxyanilino)pyridine-4-carbonitrile
SMILESCOc1ccc(OC)c(Nc2nccc(C#N)c2N)c1
InChIInChI=1S/C14H14N4O2/c1-19-10-3-4-12(20-2)11(7-10)18-14-13(16)9(8-15)5-6-17-14/h3-7H,16H2,1-2H3,(H,17,18)
InChIKeyQFNYKVFCTOUQTC-UHFFFAOYSA-N
XLogP2.30
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-2-(5-bromo-2-methoxyanilino)pyridine-4-carbonitrile
CID 82817698
2-(2,5-dimethoxyanilino)pyridine-3-carbonitrile
CID 24691895
4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142820
3-amino-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile
CID 82816871
4-N-(2,5-difluorophenyl)-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142786
6-N-(2,4-dichlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142724
4-N-(2,5-dimethoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19142678
3-amino-2-(3,4-dimethylanilino)pyridine-4-carbonitrile
CID 82817679
3-amino-2-(5-fluoro-2-methylanilino)pyridine-4-carbonitrile
CID 82816959
4-N-butan-2-yl-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142796
3-amino-2-(4-propoxyanilino)pyridine-4-carbonitrile
CID 82816909
3-amino-2-(2-ethylanilino)pyridine-4-carbonitrile
CID 82817206

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,5-dimethoxyanilino)pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-(2,5-dimethoxyanilino)pyridine-4-carbonitrile (CID 82817759) is 3-amino-2-(2,5-dimethoxyanilino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-(2,5-dimethoxyanilino)pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-(2,5-dimethoxyanilino)pyridine-4-carbonitrile is COc1ccc(OC)c(Nc2nccc(C#N)c2N)c1.
What is the InChIKey of 3-amino-2-(2,5-dimethoxyanilino)pyridine-4-carbonitrile?
The InChIKey is QFNYKVFCTOUQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-19-10-3-4-12(20-2)11(7-10)18-14-13(16)9(8-15)5-6-17-14/h3-7H,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-2-(2,5-dimethoxyanilino)pyridine-4-carbonitrile?
3-amino-2-(2,5-dimethoxyanilino)pyridine-4-carbonitrile has a molecular weight of 270.29 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,5-dimethoxyanilino)pyridine-4-carbonitrile is sourced from PubChem (CID 82817759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).