4-amino-N-methyl-N-phenyl-1H-pyrrole-2-carboxamide

C12H13N3O — CID 43641987

IUPAC4-amino-N-methyl-N-phenyl-1H-pyrrole-2-carboxamide
SMILESCN(C(=O)c1cc(N)c[nH]1)c1ccccc1
InChIInChI=1S/C12H13N3O/c1-15(10-5-3-2-4-6-10)12(16)11-7-9(13)8-14-11/h2-8,14H,13H2,1H3
InChIKeyKFEFLTXHYSJJNF-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.87
Rot. Bonds2

About 4-amino-N-methyl-N-phenyl-1H-pyrrole-2-carboxamide

4-amino-N-methyl-N-phenyl-1H-pyrrole-2-carboxamide (PubChem CID 43641987) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-amino-N-methyl-N-phenyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-phenyl-1H-pyrrole-2-carboxamide
PubChem CID43641987
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name4-amino-N-methyl-N-phenyl-1H-pyrrole-2-carboxamide
SMILESCN(C(=O)c1cc(N)c[nH]1)c1ccccc1
InChIInChI=1S/C12H13N3O/c1-15(10-5-3-2-4-6-10)12(16)11-7-9(13)8-14-11/h2-8,14H,13H2,1H3
InChIKeyKFEFLTXHYSJJNF-UHFFFAOYSA-N
XLogP1.87
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-amino-N-methyl-N-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

4-amino-N-ethyl-N-phenyl-1H-pyrrole-2-carboxamide
CID 43642182
4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 61116700
4-amino-N-methyl-N-phenylbenzamide
CID 4306081
3-amino-N-methyl-N-phenyl-1H-1,2,4-triazole-5-carboxamide
CID 62808230
3-amino-N-methyl-N-phenylnaphthalene-2-carboxamide
CID 14678741
4-amino-N-methyl-N-phenylquinoline-2-carboxamide
CID 63375205
4-amino-1-ethyl-N-methyl-N-phenylpyrrole-2-carboxamide
CID 43641988
3-amino-N,4-dimethyl-N-phenylbenzamide
CID 16771335
N-(4-hydroxyphenyl)-N-methyl-4-nitro-1H-pyrrole-2-carboxamide
CID 28741041
4-amino-N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide
CID 61110887
4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 61109003
2-amino-3,5-dibromo-N-methyl-N-phenylbenzamide
CID 54547722

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-phenyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-phenyl-1H-pyrrole-2-carboxamide (CID 43641987) is 4-amino-N-methyl-N-phenyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-phenyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-phenyl-1H-pyrrole-2-carboxamide is CN(C(=O)c1cc(N)c[nH]1)c1ccccc1.
What is the InChIKey of 4-amino-N-methyl-N-phenyl-1H-pyrrole-2-carboxamide?
The InChIKey is KFEFLTXHYSJJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-15(10-5-3-2-4-6-10)12(16)11-7-9(13)8-14-11/h2-8,14H,13H2,1H3.
What are the key properties of 4-amino-N-methyl-N-phenyl-1H-pyrrole-2-carboxamide?
4-amino-N-methyl-N-phenyl-1H-pyrrole-2-carboxamide has a molecular weight of 215.26 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-phenyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43641987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).