3-amino-6-ethoxy-4-phenyl-1H-pyrrolo[2,3-b]pyridine-2,5-dicarbonitrile

C17H13N5O — CID 86291562

IUPAC3-amino-6-ethoxy-4-phenyl-1H-pyrrolo[2,3-b]pyridine-2,5-dicarbonitrile
SMILESCCOc1nc2[nH]c(C#N)c(N)c2c(-c2ccccc2)c1C#N
InChIInChI=1S/C17H13N5O/c1-2-23-17-11(8-18)13(10-6-4-3-5-7-10)14-15(20)12(9-19)21-16(14)22-17/h3-7H,2,20H2,1H3,(H,21,22)
InChIKeyWZUDJJQUIYTPES-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.95
Rot. Bonds3

About 3-amino-6-ethoxy-4-phenyl-1H-pyrrolo[2,3-b]pyridine-2,5-dicarbonitrile

3-amino-6-ethoxy-4-phenyl-1H-pyrrolo[2,3-b]pyridine-2,5-dicarbonitrile (PubChem CID 86291562) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 3-amino-6-ethoxy-4-phenyl-1H-pyrrolo[2,3-b]pyridine-2,5-dicarbonitrile.

Molecular Properties

Compound Name3-amino-6-ethoxy-4-phenyl-1H-pyrrolo[2,3-b]pyridine-2,5-dicarbonitrile
PubChem CID86291562
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name3-amino-6-ethoxy-4-phenyl-1H-pyrrolo[2,3-b]pyridine-2,5-dicarbonitrile
SMILESCCOc1nc2[nH]c(C#N)c(N)c2c(-c2ccccc2)c1C#N
InChIInChI=1S/C17H13N5O/c1-2-23-17-11(8-18)13(10-6-4-3-5-7-10)14-15(20)12(9-19)21-16(14)22-17/h3-7H,2,20H2,1H3,(H,21,22)
InChIKeyWZUDJJQUIYTPES-UHFFFAOYSA-N
XLogP2.95
TPSA111.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,6-dichlorophenyl)-11-ethoxy-6-oxo-13-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaene-12-carbonitrile
CID 135507313
2-(dimethylamino)-7-ethoxy-5-phenyl-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-6-carbonitrile
CID 171988953
ethyl 2-amino-6-cyano-7-ethoxy-5-phenyl-1,8-naphthyridine-3-carboxylate
CID 15189182
2-amino-6-ethoxy-4-(2-hydroxyphenyl)pyridine-3,5-dicarbonitrile
CID 137301601
6-cyano-7-ethoxy-2-methyl-5-phenyl-1,8-naphthyridine-3-carboxamide
CID 15189178
2-ethoxy-4-phenyl-7-[(E)-2-phenylethenyl]-1,8-naphthyridine-3-carbonitrile
CID 15191501
11-ethoxy-4-(2-nitrophenyl)-6-oxo-13-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-12-carbonitrile
CID 10367490
N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-phenylacetamide
CID 11558435
4-amino-6-benzyl-2-ethoxypyridine-3-carbonitrile
CID 70924925
4-(4-benzylpiperazin-1-yl)-2-(dimethylamino)-7-ethoxy-5-phenylpyrido[2,3-d]pyrimidine-6-carbonitrile
CID 171988952
5-amino-7-ethoxy-2-methyl-2,4-diphenyl-1H-1,6-naphthyridine-8-carbonitrile
CID 73056146
2-ethoxy-6-oxo-4-phenylindeno[1,2-b][1,8]naphthyridine-3-carbonitrile
CID 15261533

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-ethoxy-4-phenyl-1H-pyrrolo[2,3-b]pyridine-2,5-dicarbonitrile?
The IUPAC name of 3-amino-6-ethoxy-4-phenyl-1H-pyrrolo[2,3-b]pyridine-2,5-dicarbonitrile (CID 86291562) is 3-amino-6-ethoxy-4-phenyl-1H-pyrrolo[2,3-b]pyridine-2,5-dicarbonitrile.
What is the SMILES notation for 3-amino-6-ethoxy-4-phenyl-1H-pyrrolo[2,3-b]pyridine-2,5-dicarbonitrile?
The canonical SMILES for 3-amino-6-ethoxy-4-phenyl-1H-pyrrolo[2,3-b]pyridine-2,5-dicarbonitrile is CCOc1nc2[nH]c(C#N)c(N)c2c(-c2ccccc2)c1C#N.
What is the InChIKey of 3-amino-6-ethoxy-4-phenyl-1H-pyrrolo[2,3-b]pyridine-2,5-dicarbonitrile?
The InChIKey is WZUDJJQUIYTPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c1-2-23-17-11(8-18)13(10-6-4-3-5-7-10)14-15(20)12(9-19)21-16(14)22-17/h3-7H,2,20H2,1H3,(H,21,22).
What are the key properties of 3-amino-6-ethoxy-4-phenyl-1H-pyrrolo[2,3-b]pyridine-2,5-dicarbonitrile?
3-amino-6-ethoxy-4-phenyl-1H-pyrrolo[2,3-b]pyridine-2,5-dicarbonitrile has a molecular weight of 303.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-ethoxy-4-phenyl-1H-pyrrolo[2,3-b]pyridine-2,5-dicarbonitrile is sourced from PubChem (CID 86291562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).