2-amino-1-methyl-5-phenylpyrrole-3,4-dicarbonitrile

C13H10N4 — CID 660073

IUPAC2-amino-1-methyl-5-phenylpyrrole-3,4-dicarbonitrile
SMILESCn1c(N)c(C#N)c(C#N)c1-c1ccccc1
InChIInChI=1S/C13H10N4/c1-17-12(9-5-3-2-4-6-9)10(7-14)11(8-15)13(17)16/h2-6H,16H2,1H3
InChIKeyYZQPDLLNRHJSDZ-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.02
Rot. Bonds1

About 2-amino-1-methyl-5-phenylpyrrole-3,4-dicarbonitrile

2-amino-1-methyl-5-phenylpyrrole-3,4-dicarbonitrile (PubChem CID 660073) has the molecular formula C13H10N4 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-amino-1-methyl-5-phenylpyrrole-3,4-dicarbonitrile.

Molecular Properties

Compound Name2-amino-1-methyl-5-phenylpyrrole-3,4-dicarbonitrile
PubChem CID660073
Molecular FormulaC13H10N4
Molecular Weight222.25 g/mol
Exact Mass222.09
IUPAC Name2-amino-1-methyl-5-phenylpyrrole-3,4-dicarbonitrile
SMILESCn1c(N)c(C#N)c(C#N)c1-c1ccccc1
InChIInChI=1S/C13H10N4/c1-17-12(9-5-3-2-4-6-9)10(7-14)11(8-15)13(17)16/h2-6H,16H2,1H3
InChIKeyYZQPDLLNRHJSDZ-UHFFFAOYSA-N
XLogP2.02
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-(2-fluorophenyl)-4-methyl-1H-pyrrole-3-carbonitrile
CID 10176749
ST001233
CID 610514
2-Amino-4,6-diphenylpyridine-3-carbonitrile
CID 668105
2-Amino-5-phenyl-1-pyridin-2-ylpyrrole-3-carbonitrile
CID 71457777
2-Amino-4-phenyl-6-(pyrrolidin-1-yl)pyridine-3,5-dicarbonitrile
CID 684664
2-amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carbonitrile
CID 2763308
5-amino-1-benzyl-1H-pyrrole-3-carbonitrile
CID 5325262
2-Amino-5,6-dimethyl-4-phenylnicotinonitrile
CID 650363
2-(Methylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 1477168
2-(Dimethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 1477169
2-Amino-4-(1-methylpyrrol-2-yl)-6-phenylpyridine-3-carbonitrile
CID 3355365
2-Amino-6-ethyl-4-(4-fluorophenyl)-5-methylnicotinonitrile
CID 4639012

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-methyl-5-phenylpyrrole-3,4-dicarbonitrile?
The IUPAC name of 2-amino-1-methyl-5-phenylpyrrole-3,4-dicarbonitrile (CID 660073) is 2-amino-1-methyl-5-phenylpyrrole-3,4-dicarbonitrile.
What is the SMILES notation for 2-amino-1-methyl-5-phenylpyrrole-3,4-dicarbonitrile?
The canonical SMILES for 2-amino-1-methyl-5-phenylpyrrole-3,4-dicarbonitrile is Cn1c(N)c(C#N)c(C#N)c1-c1ccccc1.
What is the InChIKey of 2-amino-1-methyl-5-phenylpyrrole-3,4-dicarbonitrile?
The InChIKey is YZQPDLLNRHJSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4/c1-17-12(9-5-3-2-4-6-9)10(7-14)11(8-15)13(17)16/h2-6H,16H2,1H3.
What are the key properties of 2-amino-1-methyl-5-phenylpyrrole-3,4-dicarbonitrile?
2-amino-1-methyl-5-phenylpyrrole-3,4-dicarbonitrile has a molecular weight of 222.25 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-methyl-5-phenylpyrrole-3,4-dicarbonitrile is sourced from PubChem (CID 660073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).