2-amino-4,5-diphenyl-1H-pyrrole-3-carbonitrile

C17H13N3 — CID 102016835

IUPAC2-amino-4,5-diphenyl-1H-pyrrole-3-carbonitrile
SMILESN#Cc1c(N)[nH]c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C17H13N3/c18-11-14-15(12-7-3-1-4-8-12)16(20-17(14)19)13-9-5-2-6-10-13/h1-10,20H,19H2
InChIKeyVKHVVUFBKPSVBQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.80
Rot. Bonds2

About 2-amino-4,5-diphenyl-1H-pyrrole-3-carbonitrile

2-amino-4,5-diphenyl-1H-pyrrole-3-carbonitrile (PubChem CID 102016835) has the molecular formula C17H13N3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-amino-4,5-diphenyl-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4,5-diphenyl-1H-pyrrole-3-carbonitrile
PubChem CID102016835
Molecular FormulaC17H13N3
Molecular Weight259.31 g/mol
Exact Mass259.11
IUPAC Name2-amino-4,5-diphenyl-1H-pyrrole-3-carbonitrile
SMILESN#Cc1c(N)[nH]c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C17H13N3/c18-11-14-15(12-7-3-1-4-8-12)16(20-17(14)19)13-9-5-2-6-10-13/h1-10,20H,19H2
InChIKeyVKHVVUFBKPSVBQ-UHFFFAOYSA-N
XLogP3.80
TPSA65.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,5-triphenyl-1H-pyrrol-2-amine
CID 172835095
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1,8-diamino-5-methyl-6-phenyl-3-sulfanylidene-2H-isoquinoline-4,7-dicarbonitrile
CID 15396827
2-(4-methylphenyl)-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile
CID 12550717
4-(2-phenyl-1H-indol-3-yl)benzonitrile
CID 12065987
2-amino-6-oxo-4-(4-phenylmethoxyphenyl)-1H-pyridine-3,5-dicarbonitrile
CID 169393056
2-amino-4-oxo-6-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 135566498
3-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)benzoic acid
CID 169393283
2-amino-3-phenyl-1H-indole-5,6-dicarbonitrile
CID 91739124
4-methoxy-2,5-diphenyl-1H-pyrrole-3-carbonitrile
CID 15398786
2-amino-5-methyl-4-phenylthiophene-3-carbonitrile
CID 672397
2-amino-4-(3-hydroxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
CID 2268937

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-diphenyl-1H-pyrrole-3-carbonitrile?
The IUPAC name of 2-amino-4,5-diphenyl-1H-pyrrole-3-carbonitrile (CID 102016835) is 2-amino-4,5-diphenyl-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 2-amino-4,5-diphenyl-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 2-amino-4,5-diphenyl-1H-pyrrole-3-carbonitrile is N#Cc1c(N)[nH]c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-amino-4,5-diphenyl-1H-pyrrole-3-carbonitrile?
The InChIKey is VKHVVUFBKPSVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3/c18-11-14-15(12-7-3-1-4-8-12)16(20-17(14)19)13-9-5-2-6-10-13/h1-10,20H,19H2.
What are the key properties of 2-amino-4,5-diphenyl-1H-pyrrole-3-carbonitrile?
2-amino-4,5-diphenyl-1H-pyrrole-3-carbonitrile has a molecular weight of 259.31 g/mol, XLogP of 3.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-diphenyl-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 102016835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).