2-(2-methylpiperazin-1-yl)-5-nitropyridine-3-carboxamide

C11H15N5O3 — CID 55104538

IUPAC2-(2-methylpiperazin-1-yl)-5-nitropyridine-3-carboxamide
SMILESCC1CNCCN1c1ncc([N+](=O)[O-])cc1C(N)=O
InChIInChI=1S/C11H15N5O3/c1-7-5-13-2-3-15(7)11-9(10(12)17)4-8(6-14-11)16(18)19/h4,6-7,13H,2-3,5H2,1H3,(H2,12,17)
InChIKeyFFBNBTOLMTYCNK-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.11
Rot. Bonds3

About 2-(2-methylpiperazin-1-yl)-5-nitropyridine-3-carboxamide

2-(2-methylpiperazin-1-yl)-5-nitropyridine-3-carboxamide (PubChem CID 55104538) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-(2-methylpiperazin-1-yl)-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-methylpiperazin-1-yl)-5-nitropyridine-3-carboxamide
PubChem CID55104538
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name2-(2-methylpiperazin-1-yl)-5-nitropyridine-3-carboxamide
SMILESCC1CNCCN1c1ncc([N+](=O)[O-])cc1C(N)=O
InChIInChI=1S/C11H15N5O3/c1-7-5-13-2-3-15(7)11-9(10(12)17)4-8(6-14-11)16(18)19/h4,6-7,13H,2-3,5H2,1H3,(H2,12,17)
InChIKeyFFBNBTOLMTYCNK-UHFFFAOYSA-N
XLogP-0.11
TPSA114.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.11
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'}

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Related Compounds

1-(3-carbamoyl-5-nitro-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79371889
1-(3-carbamoyl-5-nitro-2-pyridinyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102776402
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-nitropyridine-3-carboxamide
CID 133344472
2-[4-(2-methylpropyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133363039
2-[(6-methylmorpholin-2-yl)methoxy]-5-nitropyridine-3-carboxamide
CID 102634953
2-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133349682
2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133280056
2-(2-methylpiperazin-1-yl)benzamide
CID 22411270
5-nitro-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 55239598
(2R)-2-methyl-1-(6-nitro-3-pyridinyl)piperazine
CID 94546157
(2R)-1-(2,4-dinitrophenyl)-2-methylpiperazine
CID 94546231
5-nitro-2-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyridine-3-carboxamide
CID 133476732

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperazin-1-yl)-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-(2-methylpiperazin-1-yl)-5-nitropyridine-3-carboxamide (CID 55104538) is 2-(2-methylpiperazin-1-yl)-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-(2-methylpiperazin-1-yl)-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-(2-methylpiperazin-1-yl)-5-nitropyridine-3-carboxamide is CC1CNCCN1c1ncc([N+](=O)[O-])cc1C(N)=O.
What is the InChIKey of 2-(2-methylpiperazin-1-yl)-5-nitropyridine-3-carboxamide?
The InChIKey is FFBNBTOLMTYCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-7-5-13-2-3-15(7)11-9(10(12)17)4-8(6-14-11)16(18)19/h4,6-7,13H,2-3,5H2,1H3,(H2,12,17).
What are the key properties of 2-(2-methylpiperazin-1-yl)-5-nitropyridine-3-carboxamide?
2-(2-methylpiperazin-1-yl)-5-nitropyridine-3-carboxamide has a molecular weight of 265.27 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperazin-1-yl)-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 55104538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).