5-amino-2-(5-chloro-2-methoxyanilino)pyridine-3-carbonitrile

C13H11ClN4O — CID 54860696

IUPAC5-amino-2-(5-chloro-2-methoxyanilino)pyridine-3-carbonitrile
SMILESCOc1ccc(Cl)cc1Nc1ncc(N)cc1C#N
InChIInChI=1S/C13H11ClN4O/c1-19-12-3-2-9(14)5-11(12)18-13-8(6-15)4-10(16)7-17-13/h2-5,7H,16H2,1H3,(H,17,18)
InChIKeyZUZJEXZAIHSODI-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.94
Rot. Bonds3

About 5-amino-2-(5-chloro-2-methoxyanilino)pyridine-3-carbonitrile

5-amino-2-(5-chloro-2-methoxyanilino)pyridine-3-carbonitrile (PubChem CID 54860696) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is 5-amino-2-(5-chloro-2-methoxyanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(5-chloro-2-methoxyanilino)pyridine-3-carbonitrile
PubChem CID54860696
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name5-amino-2-(5-chloro-2-methoxyanilino)pyridine-3-carbonitrile
SMILESCOc1ccc(Cl)cc1Nc1ncc(N)cc1C#N
InChIInChI=1S/C13H11ClN4O/c1-19-12-3-2-9(14)5-11(12)18-13-8(6-15)4-10(16)7-17-13/h2-5,7H,16H2,1H3,(H,17,18)
InChIKeyZUZJEXZAIHSODI-UHFFFAOYSA-N
XLogP2.94
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-(2,4-dichloroanilino)pyridine-3-carbonitrile
CID 54938417
5-amino-2-(4-chloro-3-methoxyanilino)pyridine-3-carbonitrile
CID 107620892
3-(5-chloro-2-methoxyanilino)pyrazine-2-carbonitrile
CID 62684861
5-amino-2-(2,5-dichloro-4-methylanilino)pyridine-3-carbonitrile
CID 104725902
3-N-(5-chloro-2-methoxyphenyl)pyrazine-2,3-diamine
CID 102985025
5-amino-2-(2-chloro-4-fluoroanilino)pyridine-3-carbonitrile
CID 54860679
5-amino-6-(5-chloro-2-cyanoanilino)pyridine-3-carbonitrile
CID 103468593
5-amino-2-(2-ethoxyanilino)pyridine-3-carbonitrile
CID 54938370
2-[(5-aminopyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 79918602
5-amino-2-(2,6-dichloroanilino)pyridine-3-carbonitrile
CID 65469093
5-amino-2-(5-cyano-2-methylanilino)pyridine-3-carbonitrile
CID 62103720
5-amino-2-(2,5-difluoro-4-methylanilino)pyridine-3-carbonitrile
CID 103584541

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(5-chloro-2-methoxyanilino)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-(5-chloro-2-methoxyanilino)pyridine-3-carbonitrile (CID 54860696) is 5-amino-2-(5-chloro-2-methoxyanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-(5-chloro-2-methoxyanilino)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-(5-chloro-2-methoxyanilino)pyridine-3-carbonitrile is COc1ccc(Cl)cc1Nc1ncc(N)cc1C#N.
What is the InChIKey of 5-amino-2-(5-chloro-2-methoxyanilino)pyridine-3-carbonitrile?
The InChIKey is ZUZJEXZAIHSODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c1-19-12-3-2-9(14)5-11(12)18-13-8(6-15)4-10(16)7-17-13/h2-5,7H,16H2,1H3,(H,17,18).
What are the key properties of 5-amino-2-(5-chloro-2-methoxyanilino)pyridine-3-carbonitrile?
5-amino-2-(5-chloro-2-methoxyanilino)pyridine-3-carbonitrile has a molecular weight of 274.71 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(5-chloro-2-methoxyanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 54860696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).