4-nitro-N-(2-piperazin-1-ylethyl)-1H-pyrrole-2-carboxamide

C11H17N5O3 — CID 43600166

IUPAC4-nitro-N-(2-piperazin-1-ylethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCCN1CCNCC1)c1cc([N+](=O)[O-])c[nH]1
InChIInChI=1S/C11H17N5O3/c17-11(10-7-9(8-14-10)16(18)19)13-3-6-15-4-1-12-2-5-15/h7-8,12,14H,1-6H2,(H,13,17)
InChIKeyNZYNMVUFKFXWHL-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.44
Rot. Bonds5

About 4-nitro-N-(2-piperazin-1-ylethyl)-1H-pyrrole-2-carboxamide

4-nitro-N-(2-piperazin-1-ylethyl)-1H-pyrrole-2-carboxamide (PubChem CID 43600166) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-nitro-N-(2-piperazin-1-ylethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-nitro-N-(2-piperazin-1-ylethyl)-1H-pyrrole-2-carboxamide
PubChem CID43600166
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name4-nitro-N-(2-piperazin-1-ylethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCCN1CCNCC1)c1cc([N+](=O)[O-])c[nH]1
InChIInChI=1S/C11H17N5O3/c17-11(10-7-9(8-14-10)16(18)19)13-3-6-15-4-1-12-2-5-15/h7-8,12,14H,1-6H2,(H,13,17)
InChIKeyNZYNMVUFKFXWHL-UHFFFAOYSA-N
XLogP-0.44
TPSA103.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-nitro-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 119447877
2-fluoro-5-nitro-N-(2-piperazin-1-ylethyl)benzamide
CID 43808795
4-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrrole-2-carboxamide
CID 104955047
5-nitro-N-(2-piperazin-1-ylethyl)-1-benzothiophene-2-carboxamide
CID 119446251
N-[2-(cycloheptylamino)ethyl]-4-nitro-1H-pyrrole-2-carboxamide;hydrochloride
CID 119619170
1-(4-nitrophenyl)-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide;hydrochloride
CID 119447389
2-methyl-4-[(4-nitro-1H-pyrrole-2-carbonyl)amino]butanoic acid
CID 80538660
4-nitro-N-(3-sulfamoylpropyl)-1H-pyrrole-2-carboxamide
CID 61131829
5-nitro-N-(2-piperazin-1-ylethyl)furan-2-carboxamide;hydrochloride
CID 119445931
3-(4-nitropyrazol-1-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446899
3-methyl-4-nitro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447275
1,4-diazepan-1-yl-(4-nitro-1H-pyrrol-2-yl)methanone
CID 28740871

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-(2-piperazin-1-ylethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-nitro-N-(2-piperazin-1-ylethyl)-1H-pyrrole-2-carboxamide (CID 43600166) is 4-nitro-N-(2-piperazin-1-ylethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-nitro-N-(2-piperazin-1-ylethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-nitro-N-(2-piperazin-1-ylethyl)-1H-pyrrole-2-carboxamide is O=C(NCCN1CCNCC1)c1cc([N+](=O)[O-])c[nH]1.
What is the InChIKey of 4-nitro-N-(2-piperazin-1-ylethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is NZYNMVUFKFXWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c17-11(10-7-9(8-14-10)16(18)19)13-3-6-15-4-1-12-2-5-15/h7-8,12,14H,1-6H2,(H,13,17).
What are the key properties of 4-nitro-N-(2-piperazin-1-ylethyl)-1H-pyrrole-2-carboxamide?
4-nitro-N-(2-piperazin-1-ylethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 267.29 g/mol, XLogP of -0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-(2-piperazin-1-ylethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43600166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).