N-[(4-aminophenyl)methyl]-1H-pyrrole-2-carboxamide

C12H13N3O — CID 110480990

IUPACN-[(4-aminophenyl)methyl]-1H-pyrrole-2-carboxamide
SMILESNc1ccc(CNC(=O)c2ccc[nH]2)cc1
InChIInChI=1S/C12H13N3O/c13-10-5-3-9(4-6-10)8-15-12(16)11-2-1-7-14-11/h1-7,14H,8,13H2,(H,15,16)
InChIKeyVLFIIWKJLYBEIK-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.53
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-1H-pyrrole-2-carboxamide

N-[(4-aminophenyl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 110480990) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID110480990
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-[(4-aminophenyl)methyl]-1H-pyrrole-2-carboxamide
SMILESNc1ccc(CNC(=O)c2ccc[nH]2)cc1
InChIInChI=1S/C12H13N3O/c13-10-5-3-9(4-6-10)8-15-12(16)11-2-1-7-14-11/h1-7,14H,8,13H2,(H,15,16)
InChIKeyVLFIIWKJLYBEIK-UHFFFAOYSA-N
XLogP1.53
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[(4-aminophenyl)methyl]-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-(1H-pyrrol-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 110445345
N-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 63311038
N-[(4-aminophenyl)methyl]-2,6-difluorobenzamide
CID 60893159
N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 110461051
N-[[3-(dimethylamino)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 110470852
N-(2-amino-2-methylpropyl)-1H-pyrrole-2-carboxamide
CID 81483032
N-(2-aminopropyl)-1H-pyrrole-2-carboxamide
CID 63732088
3-[3-[(1H-pyrrole-2-carbonylamino)methyl]phenyl]prop-2-enoic acid
CID 76906056
N-but-2-ynyl-1H-pyrrole-2-carboxamide;ethane
CID 143657649
N-[(4-aminophenyl)methyl]-2-chlorobenzamide
CID 39360992
N-[(4-aminophenyl)methyl]-2-methylbenzamide
CID 60892796
N-[4-(aminomethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 110480991

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-1H-pyrrole-2-carboxamide (CID 110480990) is N-[(4-aminophenyl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-1H-pyrrole-2-carboxamide is Nc1ccc(CNC(=O)c2ccc[nH]2)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is VLFIIWKJLYBEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-10-5-3-9(4-6-10)8-15-12(16)11-2-1-7-14-11/h1-7,14H,8,13H2,(H,15,16).
What are the key properties of N-[(4-aminophenyl)methyl]-1H-pyrrole-2-carboxamide?
N-[(4-aminophenyl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 215.26 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 110480990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).