N-[2-(methylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide

C13H15N3O — CID 43601088

IUPACN-[2-(methylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide
SMILESCNCc1ccccc1NC(=O)c1ccc[nH]1
InChIInChI=1S/C13H15N3O/c1-14-9-10-5-2-3-6-11(10)16-13(17)12-7-4-8-15-12/h2-8,14-15H,9H2,1H3,(H,16,17)
InChIKeyFVTFALPTSXWSPG-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.99
Rot. Bonds4

About N-[2-(methylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide

N-[2-(methylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide (PubChem CID 43601088) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[2-(methylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(methylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide
PubChem CID43601088
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-[2-(methylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide
SMILESCNCc1ccccc1NC(=O)c1ccc[nH]1
InChIInChI=1S/C13H15N3O/c1-14-9-10-5-2-3-6-11(10)16-13(17)12-7-4-8-15-12/h2-8,14-15H,9H2,1H3,(H,16,17)
InChIKeyFVTFALPTSXWSPG-UHFFFAOYSA-N
XLogP1.99
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-[2-(methylaminomethyl)phenyl]-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

N-(2-methylphenyl)-1H-pyrrole-2-carboxamide
CID 47009571
4,5-dichloro-N-[2-(methylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 43601084
N-(2-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 51210810
4-ethyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43601035
2,6-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43601063
bis(N-[2-(1H-pyrrole-2-carbonylamino)phenyl]-1H-pyrrole-2-carboxamide);bis(tetrabutylazanium);difluoride
CID 139175498
N-[2-(methylaminomethyl)phenyl]-2-phenylacetamide
CID 43601028
3,4-dimethyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43601073
4-fluoro-3-methyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 63213814
N-[2-(methylaminomethyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 43600970
N-[2-(cyclopenta-1,3-dien-1-ylcarbamoylamino)phenyl]-1H-pyrrole-2-carboxamide
CID 102395215
3,5-dimethoxy-4-methyl-N-[2-(methylaminomethyl)phenyl]benzamide;hydrochloride
CID 119437963

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[2-(methylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide (CID 43601088) is N-[2-(methylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(methylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[2-(methylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide is CNCc1ccccc1NC(=O)c1ccc[nH]1.
What is the InChIKey of N-[2-(methylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is FVTFALPTSXWSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-14-9-10-5-2-3-6-11(10)16-13(17)12-7-4-8-15-12/h2-8,14-15H,9H2,1H3,(H,16,17).
What are the key properties of N-[2-(methylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide?
N-[2-(methylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43601088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).