4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide

C16H21N3O2 — CID 61116342

IUPAC4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C16H21N3O2/c1-4-19-11-13(17)9-15(19)16(20)18(2)10-12-6-5-7-14(8-12)21-3/h5-9,11H,4,10,17H2,1-3H3
InChIKeyINAAEKFTTIKTEN-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.37
Rot. Bonds5

About 4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide

4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide (PubChem CID 61116342) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide
PubChem CID61116342
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C16H21N3O2/c1-4-19-11-13(17)9-15(19)16(20)18(2)10-12-6-5-7-14(8-12)21-3/h5-9,11H,4,10,17H2,1-3H3
InChIKeyINAAEKFTTIKTEN-UHFFFAOYSA-N
XLogP2.37
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-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-bromo-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide
CID 60954823
4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]pyrrole-2-carboxamide
CID 61028915
4-amino-1-ethyl-N-[2-(3-methoxyphenyl)ethyl]pyrrole-2-carboxamide
CID 107843317
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
3-amino-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 54980615
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
5-amino-N-[(3-methoxyphenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 115330502
3-amino-4-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 61115963
5-amino-N-[(3-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 61418056
2-amino-N-[(3-methoxyphenyl)methyl]-N-methylbutanamide
CID 54869166
4-amino-N-benzyl-1-ethyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 61105047
4-amino-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide
CID 43643682

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide (CID 61116342) is 4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)N(C)Cc1cccc(OC)c1.
What is the InChIKey of 4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide?
The InChIKey is INAAEKFTTIKTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-19-11-13(17)9-15(19)16(20)18(2)10-12-6-5-7-14(8-12)21-3/h5-9,11H,4,10,17H2,1-3H3.
What are the key properties of 4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide?
4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide is sourced from PubChem (CID 61116342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).