4-amino-N-(3,4-dicyanophenyl)-1H-pyrrole-2-carboxamide

C13H9N5O — CID 107786819

IUPAC4-amino-N-(3,4-dicyanophenyl)-1H-pyrrole-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc(N)c[nH]2)cc1C#N
InChIInChI=1S/C13H9N5O/c14-5-8-1-2-11(3-9(8)6-15)18-13(19)12-4-10(16)7-17-12/h1-4,7,17H,16H2,(H,18,19)
InChIKeyWXLZYSZGLWQIGG-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.59
Rot. Bonds2

About 4-amino-N-(3,4-dicyanophenyl)-1H-pyrrole-2-carboxamide

4-amino-N-(3,4-dicyanophenyl)-1H-pyrrole-2-carboxamide (PubChem CID 107786819) has the molecular formula C13H9N5O and a molecular weight of 251.25 g/mol. Its IUPAC name is 4-amino-N-(3,4-dicyanophenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3,4-dicyanophenyl)-1H-pyrrole-2-carboxamide
PubChem CID107786819
Molecular FormulaC13H9N5O
Molecular Weight251.25 g/mol
Exact Mass251.08
IUPAC Name4-amino-N-(3,4-dicyanophenyl)-1H-pyrrole-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc(N)c[nH]2)cc1C#N
InChIInChI=1S/C13H9N5O/c14-5-8-1-2-11(3-9(8)6-15)18-13(19)12-4-10(16)7-17-12/h1-4,7,17H,16H2,(H,18,19)
InChIKeyWXLZYSZGLWQIGG-UHFFFAOYSA-N
XLogP1.59
TPSA118.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(3-chloro-4-cyanophenyl)-1H-pyrrole-2-carboxamide
CID 43643375
4-amino-N-(4-iodophenyl)-1H-pyrrole-2-carboxamide
CID 43643239
4-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide
CID 43642778
3-amino-5-bromo-N-(3,4-dicyanophenyl)benzamide
CID 107786866
4-amino-N-(3-chlorophenyl)-1H-pyrrole-2-carboxamide
CID 43642230
4-amino-N-(3-cyano-4-methoxyphenyl)benzamide
CID 23791470
5-amino-N-(3,4-dicyanophenyl)-2-methylbenzamide
CID 107786844
4-tert-butyl-N-(3,4-dicyanophenyl)benzamide
CID 78843259
N-(3,4-dicyanophenyl)acetamide
CID 12938829
N-(3,4-dicyanophenyl)-3,5-dihydroxybenzamide
CID 103944403
3-amino-N-(3,4-dicyanophenyl)-4-fluorobenzamide
CID 107786862
2-amino-5-chloro-N-(3,4-dicyanophenyl)benzamide
CID 107786836

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,4-dicyanophenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(3,4-dicyanophenyl)-1H-pyrrole-2-carboxamide (CID 107786819) is 4-amino-N-(3,4-dicyanophenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(3,4-dicyanophenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(3,4-dicyanophenyl)-1H-pyrrole-2-carboxamide is N#Cc1ccc(NC(=O)c2cc(N)c[nH]2)cc1C#N.
What is the InChIKey of 4-amino-N-(3,4-dicyanophenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is WXLZYSZGLWQIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O/c14-5-8-1-2-11(3-9(8)6-15)18-13(19)12-4-10(16)7-17-12/h1-4,7,17H,16H2,(H,18,19).
What are the key properties of 4-amino-N-(3,4-dicyanophenyl)-1H-pyrrole-2-carboxamide?
4-amino-N-(3,4-dicyanophenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 251.25 g/mol, XLogP of 1.59, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,4-dicyanophenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 107786819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).