2-(2-ethoxyanilino)pyridine-4-carbonitrile

C14H13N3O — CID 24704594

IUPAC2-(2-ethoxyanilino)pyridine-4-carbonitrile
SMILESCCOc1ccccc1Nc1cc(C#N)ccn1
InChIInChI=1S/C14H13N3O/c1-2-18-13-6-4-3-5-12(13)17-14-9-11(10-15)7-8-16-14/h3-9H,2H2,1H3,(H,16,17)
InChIKeyHIKPBNSWYAKAMK-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.10
Rot. Bonds4

About 2-(2-ethoxyanilino)pyridine-4-carbonitrile

2-(2-ethoxyanilino)pyridine-4-carbonitrile (PubChem CID 24704594) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-(2-ethoxyanilino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-ethoxyanilino)pyridine-4-carbonitrile
PubChem CID24704594
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-(2-ethoxyanilino)pyridine-4-carbonitrile
SMILESCCOc1ccccc1Nc1cc(C#N)ccn1
InChIInChI=1S/C14H13N3O/c1-2-18-13-6-4-3-5-12(13)17-14-9-11(10-15)7-8-16-14/h3-9H,2H2,1H3,(H,16,17)
InChIKeyHIKPBNSWYAKAMK-UHFFFAOYSA-N
XLogP3.10
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(2-ethoxyanilino)pyrimidin-2-yl]amino]benzonitrile
CID 112904860
2-(2-cyanoanilino)-N-(2-ethoxyphenyl)pyridine-4-carboxamide
CID 109178127
2-[[4-(2-ethoxyanilino)pyrimidin-2-yl]amino]benzonitrile
CID 112904858
N-(3-cyanophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide
CID 109358999
4-N-(2-ethoxyphenyl)-6-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112866112
2-(2-ethoxyanilino)-N,N-diethylpyridine-4-carboxamide
CID 109174723
4-[[2-(2-ethoxyanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112930861
2-(2-ethoxyanilino)-6-methylpyrimidine-4-carbonitrile
CID 110383536
4-chloro-2-(2-ethoxyanilino)benzonitrile
CID 63517459
5-amino-2-(2-ethoxyanilino)pyridine-3-carbonitrile
CID 54938370
3-(2-ethoxyanilino)propanenitrile
CID 7100
N-(2-ethoxyphenyl)-2-(2-fluoroanilino)pyridine-4-carboxamide
CID 109177245

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyanilino)pyridine-4-carbonitrile?
The IUPAC name of 2-(2-ethoxyanilino)pyridine-4-carbonitrile (CID 24704594) is 2-(2-ethoxyanilino)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(2-ethoxyanilino)pyridine-4-carbonitrile?
The canonical SMILES for 2-(2-ethoxyanilino)pyridine-4-carbonitrile is CCOc1ccccc1Nc1cc(C#N)ccn1.
What is the InChIKey of 2-(2-ethoxyanilino)pyridine-4-carbonitrile?
The InChIKey is HIKPBNSWYAKAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-2-18-13-6-4-3-5-12(13)17-14-9-11(10-15)7-8-16-14/h3-9H,2H2,1H3,(H,16,17).
What are the key properties of 2-(2-ethoxyanilino)pyridine-4-carbonitrile?
2-(2-ethoxyanilino)pyridine-4-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyanilino)pyridine-4-carbonitrile is sourced from PubChem (CID 24704594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).