4-amino-N-(2-carbamoylphenyl)-1H-pyrrole-2-carboxamide

C12H12N4O2 — CID 43643909

IUPAC4-amino-N-(2-carbamoylphenyl)-1H-pyrrole-2-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)c1cc(N)c[nH]1
InChIInChI=1S/C12H12N4O2/c13-7-5-10(15-6-7)12(18)16-9-4-2-1-3-8(9)11(14)17/h1-6,15H,13H2,(H2,14,17)(H,16,18)
InChIKeyYWLQMVHVXMDPEO-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.95
Rot. Bonds3

About 4-amino-N-(2-carbamoylphenyl)-1H-pyrrole-2-carboxamide

4-amino-N-(2-carbamoylphenyl)-1H-pyrrole-2-carboxamide (PubChem CID 43643909) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-amino-N-(2-carbamoylphenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-carbamoylphenyl)-1H-pyrrole-2-carboxamide
PubChem CID43643909
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name4-amino-N-(2-carbamoylphenyl)-1H-pyrrole-2-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)c1cc(N)c[nH]1
InChIInChI=1S/C12H12N4O2/c13-7-5-10(15-6-7)12(18)16-9-4-2-1-3-8(9)11(14)17/h1-6,15H,13H2,(H2,14,17)(H,16,18)
InChIKeyYWLQMVHVXMDPEO-UHFFFAOYSA-N
XLogP0.95
TPSA114.00 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-phenylphenyl)-1H-pyrrole-2-carboxamide
CID 43642657
4-amino-N-[2-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 43642725
4-amino-N-(2-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide
CID 43642811
4-amino-N-(2-propylphenyl)-1H-pyrrole-2-carboxamide
CID 54963208
4-amino-N-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide
CID 43642919
4-amino-N-[2-(difluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide
CID 43643328
2-benzamidobenzamide
CID 702115
4-N-(2-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 71944310
2-N-(3-carbamoyl-2-methylphenyl)-1H-pyrrole-2,4-dicarboxamide
CID 166225226
5-amino-N-(2-carbamoylphenyl)-2-chlorobenzamide
CID 28723008
4-amino-N-(4-phenylphenyl)-1H-pyrrole-2-carboxamide
CID 61111725
2-[(4-hydroxybenzoyl)amino]benzamide
CID 110462650

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-carbamoylphenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(2-carbamoylphenyl)-1H-pyrrole-2-carboxamide (CID 43643909) is 4-amino-N-(2-carbamoylphenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-carbamoylphenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-carbamoylphenyl)-1H-pyrrole-2-carboxamide is NC(=O)c1ccccc1NC(=O)c1cc(N)c[nH]1.
What is the InChIKey of 4-amino-N-(2-carbamoylphenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is YWLQMVHVXMDPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c13-7-5-10(15-6-7)12(18)16-9-4-2-1-3-8(9)11(14)17/h1-6,15H,13H2,(H2,14,17)(H,16,18).
What are the key properties of 4-amino-N-(2-carbamoylphenyl)-1H-pyrrole-2-carboxamide?
4-amino-N-(2-carbamoylphenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 244.25 g/mol, XLogP of 0.95, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-carbamoylphenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43643909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).