N-[3-(aminomethyl)phenyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide

C15H19N3O2 — CID 114610220

IUPACN-[3-(aminomethyl)phenyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
SMILESCOCCn1cccc1C(=O)Nc1cccc(CN)c1
InChIInChI=1S/C15H19N3O2/c1-20-9-8-18-7-3-6-14(18)15(19)17-13-5-2-4-12(10-13)11-16/h2-7,10H,8-9,11,16H2,1H3,(H,17,19)
InChIKeyDPGFNQPVQBFBLH-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.85
Rot. Bonds6

About N-[3-(aminomethyl)phenyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide

N-[3-(aminomethyl)phenyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide (PubChem CID 114610220) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
PubChem CID114610220
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[3-(aminomethyl)phenyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
SMILESCOCCn1cccc1C(=O)Nc1cccc(CN)c1
InChIInChI=1S/C15H19N3O2/c1-20-9-8-18-7-3-6-14(18)15(19)17-13-5-2-4-12(10-13)11-16/h2-7,10H,8-9,11,16H2,1H3,(H,17,19)
InChIKeyDPGFNQPVQBFBLH-UHFFFAOYSA-N
XLogP1.85
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(aminomethyl)phenyl]-1-(2-methoxyethyl)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

N-(5-amino-2-fluorophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114610046
N-(3-acetamidophenyl)-1-benzylpyrrole-2-carboxamide
CID 134022751
1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone
CID 45086402
N-(2-chloro-4-iodophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 107606838
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 112748853
N-(6-bromo-2-pyridinyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609182
1-benzyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide
CID 113223648
1-propyl-N-(3-sulfamoylphenyl)pyrrole-2-carboxamide
CID 61128394
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
5-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]thiophene-2-carboxylic acid
CID 114608677
3-[3-(aminomethyl)phenyl]-1-(3-methoxypropyl)-1-methylurea
CID 55140706
N-[3-(aminomethyl)phenyl]-2-methylsulfanylacetamide
CID 63254431

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide (CID 114610220) is N-[3-(aminomethyl)phenyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide is COCCn1cccc1C(=O)Nc1cccc(CN)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide?
The InChIKey is DPGFNQPVQBFBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-20-9-8-18-7-3-6-14(18)15(19)17-13-5-2-4-12(10-13)11-16/h2-7,10H,8-9,11,16H2,1H3,(H,17,19).
What are the key properties of N-[3-(aminomethyl)phenyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide?
N-[3-(aminomethyl)phenyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 114610220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).