2-methyl-5-nitro-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide

C13H19N5O3 — CID 119447877

IUPAC2-methyl-5-nitro-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
SMILESCc1ncc([N+](=O)[O-])cc1C(=O)NCCN1CCNCC1
InChIInChI=1S/C13H19N5O3/c1-10-12(8-11(9-16-10)18(20)21)13(19)15-4-7-17-5-2-14-3-6-17/h8-9,14H,2-7H2,1H3,(H,15,19)
InChIKeyZREOMDWUXUITTI-UHFFFAOYSA-N
MW293.33 g/mol
LogP-0.07
Rot. Bonds5

About 2-methyl-5-nitro-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide

2-methyl-5-nitro-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 119447877) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-methyl-5-nitro-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-5-nitro-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
PubChem CID119447877
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name2-methyl-5-nitro-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
SMILESCc1ncc([N+](=O)[O-])cc1C(=O)NCCN1CCNCC1
InChIInChI=1S/C13H19N5O3/c1-10-12(8-11(9-16-10)18(20)21)13(19)15-4-7-17-5-2-14-3-6-17/h8-9,14H,2-7H2,1H3,(H,15,19)
InChIKeyZREOMDWUXUITTI-UHFFFAOYSA-N
XLogP-0.07
TPSA100.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-methyl-5-nitro-N-(2-piperazin-1-ylethyl)pyridine-3-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-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-methyl-5-nitropyridine-3-carboxamide
CID 51079802
2-fluoro-5-nitro-N-(2-piperazin-1-ylethyl)benzamide
CID 43808795
4-nitro-N-(2-piperazin-1-ylethyl)-1H-pyrrole-2-carboxamide
CID 43600166
2-[2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]ethylsulfanyl]acetic acid
CID 120526395
N-(2-ethoxyethyl)-2-methyl-5-nitropyridine-3-carboxamide
CID 47291156
2-methyl-5-nitro-N-piperidin-3-ylpyridine-3-carboxamide
CID 119427651
2-methyl-5-nitro-N-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]pyridine-3-carboxamide
CID 100737772
2-methyl-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide
CID 21405310
2-methoxy-5-nitro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119394311
3-methyl-4-nitro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447275
5-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpyridine-3-carboxamide
CID 61241531
2-methyl-3-nitro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119391123

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-nitro-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 2-methyl-5-nitro-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide (CID 119447877) is 2-methyl-5-nitro-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-5-nitro-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-5-nitro-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide is Cc1ncc([N+](=O)[O-])cc1C(=O)NCCN1CCNCC1.
What is the InChIKey of 2-methyl-5-nitro-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is ZREOMDWUXUITTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-10-12(8-11(9-16-10)18(20)21)13(19)15-4-7-17-5-2-14-3-6-17/h8-9,14H,2-7H2,1H3,(H,15,19).
What are the key properties of 2-methyl-5-nitro-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide?
2-methyl-5-nitro-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 293.33 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-nitro-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 119447877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).