2-amino-4-(4-phenoxyphenyl)-1-propan-2-ylpyrrole-3-carbonitrile

C20H19N3O — CID 19597503

IUPAC2-amino-4-(4-phenoxyphenyl)-1-propan-2-ylpyrrole-3-carbonitrile
SMILESCC(C)n1cc(-c2ccc(Oc3ccccc3)cc2)c(C#N)c1N
InChIInChI=1S/C20H19N3O/c1-14(2)23-13-19(18(12-21)20(23)22)15-8-10-17(11-9-15)24-16-6-4-3-5-7-16/h3-11,13-14H,22H2,1-2H3
InChIKeyACWKUXDGUMRIPU-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.98
Rot. Bonds4

About 2-amino-4-(4-phenoxyphenyl)-1-propan-2-ylpyrrole-3-carbonitrile

2-amino-4-(4-phenoxyphenyl)-1-propan-2-ylpyrrole-3-carbonitrile (PubChem CID 19597503) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-amino-4-(4-phenoxyphenyl)-1-propan-2-ylpyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-phenoxyphenyl)-1-propan-2-ylpyrrole-3-carbonitrile
PubChem CID19597503
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name2-amino-4-(4-phenoxyphenyl)-1-propan-2-ylpyrrole-3-carbonitrile
SMILESCC(C)n1cc(-c2ccc(Oc3ccccc3)cc2)c(C#N)c1N
InChIInChI=1S/C20H19N3O/c1-14(2)23-13-19(18(12-21)20(23)22)15-8-10-17(11-9-15)24-16-6-4-3-5-7-16/h3-11,13-14H,22H2,1-2H3
InChIKeyACWKUXDGUMRIPU-UHFFFAOYSA-N
XLogP4.98
TPSA63.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]-6-(2,2,2-trifluoroethoxy)benzonitrile
CID 57238861
5-[4-(3-phenylmethoxyphenoxy)phenyl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 118119843
2-amino-1-tert-butyl-4-(4-phenylsulfanylphenyl)pyrrole-3-carbonitrile
CID 54012310
2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]propane-1,3-diol
CID 19597498
2-chloro-6-(4-methylphenyl)-4-(4-phenoxyphenyl)pyridine-3-carbonitrile;2,6-dichloro-4-(4-phenoxyphenyl)pyridine-3-carbonitrile
CID 157410503
1-(4-phenoxypyrazol-1-yl)ethanamine
CID 117125159
3-(4-fluorophenyl)-1-propan-2-ylindole
CID 736229
2-amino-6-(4-methoxyphenyl)benzonitrile
CID 146018328
2-chloro-6-(4-methylphenyl)-4-(4-phenoxyphenyl)pyridine-3-carbonitrile;6-(4-methylphenyl)-4-(4-phenoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 162072281
6-(4-phenoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 15957948
2,6-diphenoxybenzonitrile
CID 71353957
6-(4-aminophenyl)-4-chloro-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;4-chloro-6-(4-methylphenyl)-2-(4-phenoxyphenyl)pyridine-3-carbonitrile
CID 161477208

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-phenoxyphenyl)-1-propan-2-ylpyrrole-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-phenoxyphenyl)-1-propan-2-ylpyrrole-3-carbonitrile (CID 19597503) is 2-amino-4-(4-phenoxyphenyl)-1-propan-2-ylpyrrole-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-phenoxyphenyl)-1-propan-2-ylpyrrole-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-phenoxyphenyl)-1-propan-2-ylpyrrole-3-carbonitrile is CC(C)n1cc(-c2ccc(Oc3ccccc3)cc2)c(C#N)c1N.
What is the InChIKey of 2-amino-4-(4-phenoxyphenyl)-1-propan-2-ylpyrrole-3-carbonitrile?
The InChIKey is ACWKUXDGUMRIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-14(2)23-13-19(18(12-21)20(23)22)15-8-10-17(11-9-15)24-16-6-4-3-5-7-16/h3-11,13-14H,22H2,1-2H3.
What are the key properties of 2-amino-4-(4-phenoxyphenyl)-1-propan-2-ylpyrrole-3-carbonitrile?
2-amino-4-(4-phenoxyphenyl)-1-propan-2-ylpyrrole-3-carbonitrile has a molecular weight of 317.39 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-phenoxyphenyl)-1-propan-2-ylpyrrole-3-carbonitrile is sourced from PubChem (CID 19597503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).