4-amino-N,1-dimethyl-N-(3-phenylpropyl)pyrrole-2-carboxamide

C16H21N3O — CID 43644054

IUPAC4-amino-N,1-dimethyl-N-(3-phenylpropyl)pyrrole-2-carboxamide
SMILESCN(CCCc1ccccc1)C(=O)c1cc(N)cn1C
InChIInChI=1S/C16H21N3O/c1-18(10-6-9-13-7-4-3-5-8-13)16(20)15-11-14(17)12-19(15)2/h3-5,7-8,11-12H,6,9-10,17H2,1-2H3
InChIKeyMTFKILSEOJVODP-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.31
Rot. Bonds5

About 4-amino-N,1-dimethyl-N-(3-phenylpropyl)pyrrole-2-carboxamide

4-amino-N,1-dimethyl-N-(3-phenylpropyl)pyrrole-2-carboxamide (PubChem CID 43644054) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-amino-N,1-dimethyl-N-(3-phenylpropyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N,1-dimethyl-N-(3-phenylpropyl)pyrrole-2-carboxamide
PubChem CID43644054
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-amino-N,1-dimethyl-N-(3-phenylpropyl)pyrrole-2-carboxamide
SMILESCN(CCCc1ccccc1)C(=O)c1cc(N)cn1C
InChIInChI=1S/C16H21N3O/c1-18(10-6-9-13-7-4-3-5-8-13)16(20)15-11-14(17)12-19(15)2/h3-5,7-8,11-12H,6,9-10,17H2,1-2H3
InChIKeyMTFKILSEOJVODP-UHFFFAOYSA-N
XLogP2.31
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-amino-N,1-dimethyl-N-(3-phenylpropyl)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-[(2-hydroxyphenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 61116274
4-amino-N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 54978696
3-amino-N-methyl-N-(4-phenylbutyl)benzamide;hydrochloride
CID 119733712
4-amino-N,N-dibutyl-1-methylpyrrole-2-carboxamide
CID 43643260
5-amino-N,2-dimethyl-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 61040317
4-amino-1-methyl-N,N-dipentylpyrrole-2-carboxamide
CID 61108331
2-(3-aminophenyl)-N-methyl-N-(3-phenylpropyl)acetamide
CID 62498844
4-amino-N-[2-(4-bromophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide
CID 61114305
2-amino-N-methyl-N-(3-phenylpropyl)acetamide
CID 43588759
N-(3-aminopropyl)-N-benzyl-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride
CID 120648433
3-amino-N-methyl-N-(3-phenylpropyl)-1H-1,2,4-triazole-5-carboxamide
CID 55115524
4-acetyl-N-(3-aminopropyl)-N-benzyl-1-methylpyrrole-2-carboxamide;hydrochloride
CID 120649222

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,1-dimethyl-N-(3-phenylpropyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N,1-dimethyl-N-(3-phenylpropyl)pyrrole-2-carboxamide (CID 43644054) is 4-amino-N,1-dimethyl-N-(3-phenylpropyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N,1-dimethyl-N-(3-phenylpropyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N,1-dimethyl-N-(3-phenylpropyl)pyrrole-2-carboxamide is CN(CCCc1ccccc1)C(=O)c1cc(N)cn1C.
What is the InChIKey of 4-amino-N,1-dimethyl-N-(3-phenylpropyl)pyrrole-2-carboxamide?
The InChIKey is MTFKILSEOJVODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-18(10-6-9-13-7-4-3-5-8-13)16(20)15-11-14(17)12-19(15)2/h3-5,7-8,11-12H,6,9-10,17H2,1-2H3.
What are the key properties of 4-amino-N,1-dimethyl-N-(3-phenylpropyl)pyrrole-2-carboxamide?
4-amino-N,1-dimethyl-N-(3-phenylpropyl)pyrrole-2-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,1-dimethyl-N-(3-phenylpropyl)pyrrole-2-carboxamide is sourced from PubChem (CID 43644054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).