N-(2-aminophenyl)-5-nitro-1H-pyrrole-2-carboxamide

C11H10N4O3 — CID 43600066

IUPACN-(2-aminophenyl)-5-nitro-1H-pyrrole-2-carboxamide
SMILESNc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[nH]1
InChIInChI=1S/C11H10N4O3/c12-7-3-1-2-4-8(7)14-11(16)9-5-6-10(13-9)15(17)18/h1-6,13H,12H2,(H,14,16)
InChIKeyZJCXKYMXLOBRER-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.76
Rot. Bonds3

About N-(2-aminophenyl)-5-nitro-1H-pyrrole-2-carboxamide

N-(2-aminophenyl)-5-nitro-1H-pyrrole-2-carboxamide (PubChem CID 43600066) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-nitro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-5-nitro-1H-pyrrole-2-carboxamide
PubChem CID43600066
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC NameN-(2-aminophenyl)-5-nitro-1H-pyrrole-2-carboxamide
SMILESNc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[nH]1
InChIInChI=1S/C11H10N4O3/c12-7-3-1-2-4-8(7)14-11(16)9-5-6-10(13-9)15(17)18/h1-6,13H,12H2,(H,14,16)
InChIKeyZJCXKYMXLOBRER-UHFFFAOYSA-N
XLogP1.76
TPSA114.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-6-[(5-nitro-1H-pyrrole-2-carbonyl)amino]benzoic acid
CID 43442867
N-(2-aminoethyl)-5-nitro-1H-pyrrole-2-carboxamide
CID 60964878
N-(2-hydroxy-4-methylphenyl)-5-nitro-1H-pyrrole-2-carboxamide
CID 61269945
N-(4-amino-3-methoxyphenyl)-5-nitro-1H-pyrrole-2-carboxamide
CID 61241979
N-(2-bromo-4-methylphenyl)-5-nitro-1H-pyrrole-2-carboxamide
CID 43246936
4-fluoro-2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]benzoic acid
CID 28741924
3-methyl-4-[(5-nitro-1H-pyrrole-2-carbonyl)amino]benzoic acid
CID 28741848
N-(5-iodo-2-pyridinyl)-5-nitro-1H-pyrrole-2-carboxamide
CID 65098976
N-(2-amino-2-phenylethyl)-5-nitro-1H-pyrrole-2-carboxamide
CID 63120540
N-[4-(bromomethyl)phenyl]-5-nitro-1H-pyrrole-2-carboxamide
CID 113274645
N-[3-(bromomethyl)phenyl]-5-nitro-1H-pyrrole-2-carboxamide
CID 113273956
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-2-nitrobenzamide
CID 15895800

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-nitro-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-5-nitro-1H-pyrrole-2-carboxamide (CID 43600066) is N-(2-aminophenyl)-5-nitro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-5-nitro-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-5-nitro-1H-pyrrole-2-carboxamide is Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[nH]1.
What is the InChIKey of N-(2-aminophenyl)-5-nitro-1H-pyrrole-2-carboxamide?
The InChIKey is ZJCXKYMXLOBRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c12-7-3-1-2-4-8(7)14-11(16)9-5-6-10(13-9)15(17)18/h1-6,13H,12H2,(H,14,16).
What are the key properties of N-(2-aminophenyl)-5-nitro-1H-pyrrole-2-carboxamide?
N-(2-aminophenyl)-5-nitro-1H-pyrrole-2-carboxamide has a molecular weight of 246.23 g/mol, XLogP of 1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-5-nitro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43600066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).