4-cyano-N-[4-(2-hydroxyethoxy)phenyl]-1-methylpyrrole-2-carboxamide

C15H15N3O3 — CID 111928569

IUPAC4-cyano-N-[4-(2-hydroxyethoxy)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(C#N)cc1C(=O)Nc1ccc(OCCO)cc1
InChIInChI=1S/C15H15N3O3/c1-18-10-11(9-16)8-14(18)15(20)17-12-2-4-13(5-3-12)21-7-6-19/h2-5,8,10,19H,6-7H2,1H3,(H,17,20)
InChIKeyMVSJLDLGQVIBMZ-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.52
Rot. Bonds5

About 4-cyano-N-[4-(2-hydroxyethoxy)phenyl]-1-methylpyrrole-2-carboxamide

4-cyano-N-[4-(2-hydroxyethoxy)phenyl]-1-methylpyrrole-2-carboxamide (PubChem CID 111928569) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-cyano-N-[4-(2-hydroxyethoxy)phenyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[4-(2-hydroxyethoxy)phenyl]-1-methylpyrrole-2-carboxamide
PubChem CID111928569
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name4-cyano-N-[4-(2-hydroxyethoxy)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(C#N)cc1C(=O)Nc1ccc(OCCO)cc1
InChIInChI=1S/C15H15N3O3/c1-18-10-11(9-16)8-14(18)15(20)17-12-2-4-13(5-3-12)21-7-6-19/h2-5,8,10,19H,6-7H2,1H3,(H,17,20)
InChIKeyMVSJLDLGQVIBMZ-UHFFFAOYSA-N
XLogP1.52
TPSA87.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-cyano-N-[4-(2-hydroxyethoxy)phenyl]-1-methylpyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyano-1-methyl-N-[3-(pyridin-4-ylmethoxy)phenyl]pyrrole-2-carboxamide
CID 75424808
N-[4-[2-(4-cyanophenoxy)ethoxy]phenyl]acetamide
CID 51142297
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-1-methylpyrrole-2-carboxamide
CID 60956273
3-cyano-N-(4-propoxyphenyl)benzamide
CID 62328524
4-tert-butyl-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 14698589
2,4-dichloro-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 111116219
3,4,5-trifluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 111116250
4-bromo-N-(4-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 43410991
N-[4-(2-hydroxyethoxy)phenyl]-2-methylbenzamide
CID 111116241
4-amino-N-(4-cyanophenyl)-1-propylpyrrole-2-carboxamide
CID 43642348
N-(4-cyanophenyl)-4-decoxybenzamide
CID 101059552
3-chloro-N-[4-(2-hydroxyethoxy)phenyl]-4-methylbenzamide
CID 111116205

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[4-(2-hydroxyethoxy)phenyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-cyano-N-[4-(2-hydroxyethoxy)phenyl]-1-methylpyrrole-2-carboxamide (CID 111928569) is 4-cyano-N-[4-(2-hydroxyethoxy)phenyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-cyano-N-[4-(2-hydroxyethoxy)phenyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-cyano-N-[4-(2-hydroxyethoxy)phenyl]-1-methylpyrrole-2-carboxamide is Cn1cc(C#N)cc1C(=O)Nc1ccc(OCCO)cc1.
What is the InChIKey of 4-cyano-N-[4-(2-hydroxyethoxy)phenyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is MVSJLDLGQVIBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-18-10-11(9-16)8-14(18)15(20)17-12-2-4-13(5-3-12)21-7-6-19/h2-5,8,10,19H,6-7H2,1H3,(H,17,20).
What are the key properties of 4-cyano-N-[4-(2-hydroxyethoxy)phenyl]-1-methylpyrrole-2-carboxamide?
4-cyano-N-[4-(2-hydroxyethoxy)phenyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 285.30 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[4-(2-hydroxyethoxy)phenyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 111928569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).