3-cyano-1-(4-ethoxyphenyl)-N-propan-2-ylpyrrole-2-carboxamide

C17H19N3O2 — CID 42748804

IUPAC3-cyano-1-(4-ethoxyphenyl)-N-propan-2-ylpyrrole-2-carboxamide
SMILESCCOc1ccc(-n2ccc(C#N)c2C(=O)NC(C)C)cc1
InChIInChI=1S/C17H19N3O2/c1-4-22-15-7-5-14(6-8-15)20-10-9-13(11-18)16(20)17(21)19-12(2)3/h5-10,12H,4H2,1-3H3,(H,19,21)
InChIKeyGCOAHBKPKSLZCD-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.89
Rot. Bonds5

About 3-cyano-1-(4-ethoxyphenyl)-N-propan-2-ylpyrrole-2-carboxamide

3-cyano-1-(4-ethoxyphenyl)-N-propan-2-ylpyrrole-2-carboxamide (PubChem CID 42748804) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-cyano-1-(4-ethoxyphenyl)-N-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name3-cyano-1-(4-ethoxyphenyl)-N-propan-2-ylpyrrole-2-carboxamide
PubChem CID42748804
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name3-cyano-1-(4-ethoxyphenyl)-N-propan-2-ylpyrrole-2-carboxamide
SMILESCCOc1ccc(-n2ccc(C#N)c2C(=O)NC(C)C)cc1
InChIInChI=1S/C17H19N3O2/c1-4-22-15-7-5-14(6-8-15)20-10-9-13(11-18)16(20)17(21)19-12(2)3/h5-10,12H,4H2,1-3H3,(H,19,21)
InChIKeyGCOAHBKPKSLZCD-UHFFFAOYSA-N
XLogP2.89
TPSA67.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyphenyl)-2-(pyrrolidine-1-carbonyl)pyrrole-3-carbonitrile
CID 4533783
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2-(4-ethoxybenzoyl)-3-methylbutanenitrile
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4-cyano-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide
CID 55659561
4-ethoxy-N-(4-hydroxybutan-2-yl)benzamide
CID 81042787
N-(2-cyanophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide
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CID 43412755
2-N-(4-ethoxyphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078141
2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(1-phenylethyl)acetamide
CID 51369913

Frequently Asked Questions

What is the IUPAC name of 3-cyano-1-(4-ethoxyphenyl)-N-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 3-cyano-1-(4-ethoxyphenyl)-N-propan-2-ylpyrrole-2-carboxamide (CID 42748804) is 3-cyano-1-(4-ethoxyphenyl)-N-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 3-cyano-1-(4-ethoxyphenyl)-N-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 3-cyano-1-(4-ethoxyphenyl)-N-propan-2-ylpyrrole-2-carboxamide is CCOc1ccc(-n2ccc(C#N)c2C(=O)NC(C)C)cc1.
What is the InChIKey of 3-cyano-1-(4-ethoxyphenyl)-N-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is GCOAHBKPKSLZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-4-22-15-7-5-14(6-8-15)20-10-9-13(11-18)16(20)17(21)19-12(2)3/h5-10,12H,4H2,1-3H3,(H,19,21).
What are the key properties of 3-cyano-1-(4-ethoxyphenyl)-N-propan-2-ylpyrrole-2-carboxamide?
3-cyano-1-(4-ethoxyphenyl)-N-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-1-(4-ethoxyphenyl)-N-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 42748804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).