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

C14H13N3O2 — CID 24691895

IUPAC2-(2,5-dimethoxyanilino)pyridine-3-carbonitrile
SMILESCOc1ccc(OC)c(Nc2ncccc2C#N)c1
InChIInChI=1S/C14H13N3O2/c1-18-11-5-6-13(19-2)12(8-11)17-14-10(9-15)4-3-7-16-14/h3-8H,1-2H3,(H,16,17)
InChIKeyLXJODDQFKMSTDE-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.71
Rot. Bonds4

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

2-(2,5-dimethoxyanilino)pyridine-3-carbonitrile (PubChem CID 24691895) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-(2,5-dimethoxyanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2,5-dimethoxyanilino)pyridine-3-carbonitrile
PubChem CID24691895
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name2-(2,5-dimethoxyanilino)pyridine-3-carbonitrile
SMILESCOc1ccc(OC)c(Nc2ncccc2C#N)c1
InChIInChI=1S/C14H13N3O2/c1-18-11-5-6-13(19-2)12(8-11)17-14-10(9-15)4-3-7-16-14/h3-8H,1-2H3,(H,16,17)
InChIKeyLXJODDQFKMSTDE-UHFFFAOYSA-N
XLogP2.71
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-(2,5-dimethoxyanilino)pyridine-4-carbonitrile
CID 82817759
2-(4,5-dimethoxy-2-methylanilino)pyridine-3-carbonitrile
CID 18194831
2-(2,5-dimethoxyanilino)pyridine-3-carboxylate
CID 7130288
N-(2-cyanophenyl)-4-(2,5-dimethoxyanilino)pyridine-2-carboxamide
CID 109221984
2-(5-methoxy-2-propan-2-yloxyanilino)pyridine-3-diazonium chloride
CID 10313962
2-N,3-N-bis(2,5-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine
CID 70166799
3-amino-2-(5-bromo-2-methoxyanilino)pyridine-4-carbonitrile
CID 82817698
4-N,6-N-bis(2,5-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 23494751
(2,5-dimethoxyphenyl)cyanamide
CID 54806316
4-N-(2,5-dimethoxyphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80769342
3-(5-chloro-2-methoxyanilino)pyrazine-2-carbonitrile
CID 62684861
5-methoxy-2-pyrimidin-2-ylbenzonitrile
CID 121010677

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyanilino)pyridine-3-carbonitrile?
The IUPAC name of 2-(2,5-dimethoxyanilino)pyridine-3-carbonitrile (CID 24691895) is 2-(2,5-dimethoxyanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2,5-dimethoxyanilino)pyridine-3-carbonitrile?
The canonical SMILES for 2-(2,5-dimethoxyanilino)pyridine-3-carbonitrile is COc1ccc(OC)c(Nc2ncccc2C#N)c1.
What is the InChIKey of 2-(2,5-dimethoxyanilino)pyridine-3-carbonitrile?
The InChIKey is LXJODDQFKMSTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-18-11-5-6-13(19-2)12(8-11)17-14-10(9-15)4-3-7-16-14/h3-8H,1-2H3,(H,16,17).
What are the key properties of 2-(2,5-dimethoxyanilino)pyridine-3-carbonitrile?
2-(2,5-dimethoxyanilino)pyridine-3-carbonitrile has a molecular weight of 255.28 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 24691895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).