4-amino-N-(2-methoxyethyl)-N-pentan-3-yl-1H-pyrrole-2-carboxamide

C13H23N3O2 — CID 61108846

IUPAC4-amino-N-(2-methoxyethyl)-N-pentan-3-yl-1H-pyrrole-2-carboxamide
SMILESCCC(CC)N(CCOC)C(=O)c1cc(N)c[nH]1
InChIInChI=1S/C13H23N3O2/c1-4-11(5-2)16(6-7-18-3)13(17)12-8-10(14)9-15-12/h8-9,11,15H,4-7,14H2,1-3H3
InChIKeyPJLKJOJUNAFCJJ-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.87
Rot. Bonds7

About 4-amino-N-(2-methoxyethyl)-N-pentan-3-yl-1H-pyrrole-2-carboxamide

4-amino-N-(2-methoxyethyl)-N-pentan-3-yl-1H-pyrrole-2-carboxamide (PubChem CID 61108846) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-amino-N-(2-methoxyethyl)-N-pentan-3-yl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methoxyethyl)-N-pentan-3-yl-1H-pyrrole-2-carboxamide
PubChem CID61108846
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-amino-N-(2-methoxyethyl)-N-pentan-3-yl-1H-pyrrole-2-carboxamide
SMILESCCC(CC)N(CCOC)C(=O)c1cc(N)c[nH]1
InChIInChI=1S/C13H23N3O2/c1-4-11(5-2)16(6-7-18-3)13(17)12-8-10(14)9-15-12/h8-9,11,15H,4-7,14H2,1-3H3
InChIKeyPJLKJOJUNAFCJJ-UHFFFAOYSA-N
XLogP1.87
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-(2-methoxyethyl)-N-pentan-3-yl-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

Related Compounds

4-amino-N-(3-methoxypropyl)-N-methyl-1H-pyrrole-2-carboxamide
CID 62984456
4-amino-1-ethyl-N-(2-methoxyethyl)-N-pentan-3-ylpyrrole-2-carboxamide
CID 61109037
N-(2-methoxyethyl)-6-oxo-N-pentan-3-yl-1H-pyridine-3-carboxamide
CID 60792621
2-amino-5-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 61108278
4,5-dibromo-N-(2-methoxyethyl)-N-pentan-3-ylthiophene-2-carboxamide
CID 113222390
3-bromo-N-(2-methoxyethyl)-5-methyl-N-pentan-3-ylbenzamide
CID 104852335
2,5-dihydroxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 103892100
2,6-dichloro-N-(2-methoxyethyl)-N-pentan-3-ylpyridine-4-carboxamide
CID 60792617
3-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbenzamide
CID 61108280
N-(2-methoxyethyl)-N-pentan-3-ylpyrazine-2-carboxamide
CID 56812386
4-amino-5-ethyl-N-(2-methoxyethyl)-N-pentan-3-yl-1H-pyrazole-3-carboxamide
CID 62081656
2-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 86982098

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methoxyethyl)-N-pentan-3-yl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(2-methoxyethyl)-N-pentan-3-yl-1H-pyrrole-2-carboxamide (CID 61108846) is 4-amino-N-(2-methoxyethyl)-N-pentan-3-yl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methoxyethyl)-N-pentan-3-yl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-methoxyethyl)-N-pentan-3-yl-1H-pyrrole-2-carboxamide is CCC(CC)N(CCOC)C(=O)c1cc(N)c[nH]1.
What is the InChIKey of 4-amino-N-(2-methoxyethyl)-N-pentan-3-yl-1H-pyrrole-2-carboxamide?
The InChIKey is PJLKJOJUNAFCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-11(5-2)16(6-7-18-3)13(17)12-8-10(14)9-15-12/h8-9,11,15H,4-7,14H2,1-3H3.
What are the key properties of 4-amino-N-(2-methoxyethyl)-N-pentan-3-yl-1H-pyrrole-2-carboxamide?
4-amino-N-(2-methoxyethyl)-N-pentan-3-yl-1H-pyrrole-2-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methoxyethyl)-N-pentan-3-yl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 61108846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).