5-cyano-N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide

C14H21N3O2 — CID 75483718

IUPAC5-cyano-N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide
SMILESCC(C)(C)CN(CCCO)C(=O)c1ccc(C#N)[nH]1
InChIInChI=1S/C14H21N3O2/c1-14(2,3)10-17(7-4-8-18)13(19)12-6-5-11(9-15)16-12/h5-6,16,18H,4,7-8,10H2,1-3H3
InChIKeyINLOAPCVVJZYHR-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.76
Rot. Bonds5

About 5-cyano-N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide

5-cyano-N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide (PubChem CID 75483718) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-cyano-N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide
PubChem CID75483718
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-cyano-N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide
SMILESCC(C)(C)CN(CCCO)C(=O)c1ccc(C#N)[nH]1
InChIInChI=1S/C14H21N3O2/c1-14(2,3)10-17(7-4-8-18)13(19)12-6-5-11(9-15)16-12/h5-6,16,18H,4,7-8,10H2,1-3H3
InChIKeyINLOAPCVVJZYHR-UHFFFAOYSA-N
XLogP1.76
TPSA80.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-cyano-N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-1H-pyrrole-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

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 5-cyano-N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide (CID 75483718) is 5-cyano-N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 5-cyano-N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide is CC(C)(C)CN(CCCO)C(=O)c1ccc(C#N)[nH]1.
What is the InChIKey of 5-cyano-N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide?
The InChIKey is INLOAPCVVJZYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2,3)10-17(7-4-8-18)13(19)12-6-5-11(9-15)16-12/h5-6,16,18H,4,7-8,10H2,1-3H3.
What are the key properties of 5-cyano-N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide?
5-cyano-N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 75483718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).