1-methyl-5-nitro-N-(3-piperazin-1-ylpropyl)pyrrole-2-carboxamide

C13H21N5O3 — CID 43443335

IUPAC1-methyl-5-nitro-N-(3-piperazin-1-ylpropyl)pyrrole-2-carboxamide
SMILESCn1c(C(=O)NCCCN2CCNCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H21N5O3/c1-16-11(3-4-12(16)18(20)21)13(19)15-5-2-8-17-9-6-14-7-10-17/h3-4,14H,2,5-10H2,1H3,(H,15,19)
InChIKeyMJFPMIGQPKUHSH-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.04
Rot. Bonds6

About 1-methyl-5-nitro-N-(3-piperazin-1-ylpropyl)pyrrole-2-carboxamide

1-methyl-5-nitro-N-(3-piperazin-1-ylpropyl)pyrrole-2-carboxamide (PubChem CID 43443335) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-methyl-5-nitro-N-(3-piperazin-1-ylpropyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-5-nitro-N-(3-piperazin-1-ylpropyl)pyrrole-2-carboxamide
PubChem CID43443335
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name1-methyl-5-nitro-N-(3-piperazin-1-ylpropyl)pyrrole-2-carboxamide
SMILESCn1c(C(=O)NCCCN2CCNCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H21N5O3/c1-16-11(3-4-12(16)18(20)21)13(19)15-5-2-8-17-9-6-14-7-10-17/h3-4,14H,2,5-10H2,1H3,(H,15,19)
InChIKeyMJFPMIGQPKUHSH-UHFFFAOYSA-N
XLogP-0.04
TPSA92.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-methyl-5-nitro-N-(3-piperazin-1-ylpropyl)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

N-(5-iodopentyl)-1-methyl-5-nitropyrrole-2-carboxamide
CID 107322327
2-methyl-3-nitro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119391123
4-acetyl-1-methyl-N-(3-piperazin-1-ylpropyl)pyrrole-2-carboxamide
CID 119391773
2-bromo-4-nitro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392673
3-nitro-N-(3-piperazin-1-ylpropyl)-4-pyrrolidin-1-ylbenzamide;hydrochloride
CID 119391857
2-methoxy-5-nitro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119394311
2-hydroxy-4-[(1-methyl-5-nitropyrrole-2-carbonyl)amino]butanoic acid
CID 114006341
3-methylsulfonyl-5-nitro-N-(3-piperazin-1-ylpropyl)benzamide
CID 119394489
2-[2-(3-piperazin-1-ylpropylcarbamoyl)pyrrol-1-yl]acetic acid
CID 79321926
4-(4-methylpiperidin-1-yl)-3-nitro-N-(3-piperazin-1-ylpropyl)benzamide
CID 119394209
5-nitro-N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride
CID 119391354
3-tert-butyl-1-methyl-N-(3-piperazin-1-ylpropyl)pyrazole-5-carboxamide
CID 119393784

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-nitro-N-(3-piperazin-1-ylpropyl)pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-5-nitro-N-(3-piperazin-1-ylpropyl)pyrrole-2-carboxamide (CID 43443335) is 1-methyl-5-nitro-N-(3-piperazin-1-ylpropyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-5-nitro-N-(3-piperazin-1-ylpropyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-5-nitro-N-(3-piperazin-1-ylpropyl)pyrrole-2-carboxamide is Cn1c(C(=O)NCCCN2CCNCC2)ccc1[N+](=O)[O-].
What is the InChIKey of 1-methyl-5-nitro-N-(3-piperazin-1-ylpropyl)pyrrole-2-carboxamide?
The InChIKey is MJFPMIGQPKUHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-16-11(3-4-12(16)18(20)21)13(19)15-5-2-8-17-9-6-14-7-10-17/h3-4,14H,2,5-10H2,1H3,(H,15,19).
What are the key properties of 1-methyl-5-nitro-N-(3-piperazin-1-ylpropyl)pyrrole-2-carboxamide?
1-methyl-5-nitro-N-(3-piperazin-1-ylpropyl)pyrrole-2-carboxamide has a molecular weight of 295.34 g/mol, XLogP of -0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-nitro-N-(3-piperazin-1-ylpropyl)pyrrole-2-carboxamide is sourced from PubChem (CID 43443335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).