5-amino-2-(2-ethoxyanilino)pyridine-3-carbonitrile

C14H14N4O — CID 54938370

IUPAC5-amino-2-(2-ethoxyanilino)pyridine-3-carbonitrile
SMILESCCOc1ccccc1Nc1ncc(N)cc1C#N
InChIInChI=1S/C14H14N4O/c1-2-19-13-6-4-3-5-12(13)18-14-10(8-15)7-11(16)9-17-14/h3-7,9H,2,16H2,1H3,(H,17,18)
InChIKeyAFUHDFVBZLVWGU-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.68
Rot. Bonds4

About 5-amino-2-(2-ethoxyanilino)pyridine-3-carbonitrile

5-amino-2-(2-ethoxyanilino)pyridine-3-carbonitrile (PubChem CID 54938370) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-amino-2-(2-ethoxyanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(2-ethoxyanilino)pyridine-3-carbonitrile
PubChem CID54938370
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name5-amino-2-(2-ethoxyanilino)pyridine-3-carbonitrile
SMILESCCOc1ccccc1Nc1ncc(N)cc1C#N
InChIInChI=1S/C14H14N4O/c1-2-19-13-6-4-3-5-12(13)18-14-10(8-15)7-11(16)9-17-14/h3-7,9H,2,16H2,1H3,(H,17,18)
InChIKeyAFUHDFVBZLVWGU-UHFFFAOYSA-N
XLogP2.68
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-[2-(trifluoromethoxy)anilino]pyridine-3-carbonitrile
CID 60922508
3-chloro-2-N-(2-ethoxyphenyl)pyridine-2,5-diamine
CID 82486138
5-amino-2-(2-iodoanilino)pyridine-3-carbonitrile
CID 54860710
5-bromo-2-N-(2-ethoxyphenyl)pyridine-2,3-diamine
CID 61229826
4-chloro-2-(2-ethoxyanilino)benzonitrile
CID 63517459
5-amino-2-(5-chloro-2-methoxyanilino)pyridine-3-carbonitrile
CID 54860696
5-amino-2-(2-chloro-4-fluoroanilino)pyridine-3-carbonitrile
CID 54860679
5-amino-2-(5-cyano-2-methylanilino)pyridine-3-carbonitrile
CID 62103720
5-amino-2-(2,4-dichloroanilino)pyridine-3-carbonitrile
CID 54938417
5-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyridine-3-carbonitrile
CID 107462194
5-amino-2-(2,5-dichloro-4-methylanilino)pyridine-3-carbonitrile
CID 104725902
2-(2-ethoxyanilino)pyridine-4-carbonitrile
CID 24704594

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-ethoxyanilino)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-(2-ethoxyanilino)pyridine-3-carbonitrile (CID 54938370) is 5-amino-2-(2-ethoxyanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-(2-ethoxyanilino)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-(2-ethoxyanilino)pyridine-3-carbonitrile is CCOc1ccccc1Nc1ncc(N)cc1C#N.
What is the InChIKey of 5-amino-2-(2-ethoxyanilino)pyridine-3-carbonitrile?
The InChIKey is AFUHDFVBZLVWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-2-19-13-6-4-3-5-12(13)18-14-10(8-15)7-11(16)9-17-14/h3-7,9H,2,16H2,1H3,(H,17,18).
What are the key properties of 5-amino-2-(2-ethoxyanilino)pyridine-3-carbonitrile?
5-amino-2-(2-ethoxyanilino)pyridine-3-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-ethoxyanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 54938370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).