N-(4-amino-3-methylphenyl)-1H-pyrrole-3-carboxamide

C12H13N3O — CID 141038982

IUPACN-(4-amino-3-methylphenyl)-1H-pyrrole-3-carboxamide
SMILESCc1cc(NC(=O)c2cc[nH]c2)ccc1N
InChIInChI=1S/C12H13N3O/c1-8-6-10(2-3-11(8)13)15-12(16)9-4-5-14-7-9/h2-7,14H,13H2,1H3,(H,15,16)
InChIKeyUMFFFNWSBTYENS-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.16
Rot. Bonds2

About N-(4-amino-3-methylphenyl)-1H-pyrrole-3-carboxamide

N-(4-amino-3-methylphenyl)-1H-pyrrole-3-carboxamide (PubChem CID 141038982) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-(4-amino-3-methylphenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3-methylphenyl)-1H-pyrrole-3-carboxamide
PubChem CID141038982
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-(4-amino-3-methylphenyl)-1H-pyrrole-3-carboxamide
SMILESCc1cc(NC(=O)c2cc[nH]c2)ccc1N
InChIInChI=1S/C12H13N3O/c1-8-6-10(2-3-11(8)13)15-12(16)9-4-5-14-7-9/h2-7,14H,13H2,1H3,(H,15,16)
InChIKeyUMFFFNWSBTYENS-UHFFFAOYSA-N
XLogP2.16
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-amino-3-methylphenyl)-1H-pyrrole-3-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-(4-amino-3-methylphenyl)-3,5-dibromobenzamide
CID 107971017
N-(4-amino-3-methylphenyl)-3,4,5-trifluorobenzamide
CID 63183667
N-(3,4-difluorophenyl)-1H-pyrrole-3-carboxamide
CID 110691221
N-(4-amino-3-methylphenyl)-4-nitrobenzamide
CID 147874410
N-(3-chloro-4-fluorophenyl)-1H-pyrrole-3-carboxamide
CID 110691150
N-(4-amino-3-bromophenyl)-3,5-dimethylbenzamide
CID 82862075
N-(2,5-dimethylphenyl)-1H-pyrrole-3-carboxamide
CID 110691132
N-(4-amino-3-bromophenyl)-5-methylfuran-3-carboxamide
CID 114818719
ethyl 4-[(4-amino-3-methylbenzoyl)amino]benzoate
CID 28748768
N-(4-ethylsulfanylphenyl)-1H-pyrrole-3-carboxamide
CID 91475196
N-(4-amino-3-methylphenyl)-4-methylthiophene-3-carboxamide
CID 79802134
N-(4-amino-3-methylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 65237624

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methylphenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of N-(4-amino-3-methylphenyl)-1H-pyrrole-3-carboxamide (CID 141038982) is N-(4-amino-3-methylphenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(4-amino-3-methylphenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-(4-amino-3-methylphenyl)-1H-pyrrole-3-carboxamide is Cc1cc(NC(=O)c2cc[nH]c2)ccc1N.
What is the InChIKey of N-(4-amino-3-methylphenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is UMFFFNWSBTYENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-6-10(2-3-11(8)13)15-12(16)9-4-5-14-7-9/h2-7,14H,13H2,1H3,(H,15,16).
What are the key properties of N-(4-amino-3-methylphenyl)-1H-pyrrole-3-carboxamide?
N-(4-amino-3-methylphenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 215.26 g/mol, XLogP of 2.16, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-methylphenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 141038982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).