1-(2-methoxyethyl)-N-pent-4-ynylpyrrole-2-carboxamide

C13H18N2O2 — CID 106223251

IUPAC1-(2-methoxyethyl)-N-pent-4-ynylpyrrole-2-carboxamide
SMILESC#CCCCNC(=O)c1cccn1CCOC
InChIInChI=1S/C13H18N2O2/c1-3-4-5-8-14-13(16)12-7-6-9-15(12)10-11-17-2/h1,6-7,9H,4-5,8,10-11H2,2H3,(H,14,16)
InChIKeyKVRLUCMZSKQLBL-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.28
Rot. Bonds7

About 1-(2-methoxyethyl)-N-pent-4-ynylpyrrole-2-carboxamide

1-(2-methoxyethyl)-N-pent-4-ynylpyrrole-2-carboxamide (PubChem CID 106223251) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-pent-4-ynylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-pent-4-ynylpyrrole-2-carboxamide
PubChem CID106223251
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(2-methoxyethyl)-N-pent-4-ynylpyrrole-2-carboxamide
SMILESC#CCCCNC(=O)c1cccn1CCOC
InChIInChI=1S/C13H18N2O2/c1-3-4-5-8-14-13(16)12-7-6-9-15(12)10-11-17-2/h1,6-7,9H,4-5,8,10-11H2,2H3,(H,14,16)
InChIKeyKVRLUCMZSKQLBL-UHFFFAOYSA-N
XLogP1.28
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-(2-methoxyethyl)-N-pent-4-ynylpyrrole-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

3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid
CID 114608589
N-pent-4-ynyl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 106223250
5-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]-2-methylpentanoic acid
CID 114609134
N-ethyl-1-(2-methoxyethyl)-N-prop-2-ynylpyrrole-2-carboxamide
CID 114610851
1-(2-methoxyethyl)-N-pent-1-yn-3-ylpyrrole-2-carboxamide
CID 106227866
N-[(4-hydroxyoxan-4-yl)methyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609728
1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone
CID 45086402
N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609933
N-(2,3-dihydroxy-2-methylpropyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609704
N-(3-amino-2-hydroxy-3-oxopropyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114152525
N-(3-ethyl-2-hydroxypentyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 106287615
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 112748853

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-pent-4-ynylpyrrole-2-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-pent-4-ynylpyrrole-2-carboxamide (CID 106223251) is 1-(2-methoxyethyl)-N-pent-4-ynylpyrrole-2-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-pent-4-ynylpyrrole-2-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-pent-4-ynylpyrrole-2-carboxamide is C#CCCCNC(=O)c1cccn1CCOC.
What is the InChIKey of 1-(2-methoxyethyl)-N-pent-4-ynylpyrrole-2-carboxamide?
The InChIKey is KVRLUCMZSKQLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-3-4-5-8-14-13(16)12-7-6-9-15(12)10-11-17-2/h1,6-7,9H,4-5,8,10-11H2,2H3,(H,14,16).
What are the key properties of 1-(2-methoxyethyl)-N-pent-4-ynylpyrrole-2-carboxamide?
1-(2-methoxyethyl)-N-pent-4-ynylpyrrole-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-pent-4-ynylpyrrole-2-carboxamide is sourced from PubChem (CID 106223251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).