2-[2-(4-methylpiperazin-1-yl)propylamino]-5-nitropyridine-3-carboxamide

C14H22N6O3 — CID 133287204

IUPAC2-[2-(4-methylpiperazin-1-yl)propylamino]-5-nitropyridine-3-carboxamide
SMILESCC(CNc1ncc([N+](=O)[O-])cc1C(N)=O)N1CCN(C)CC1
InChIInChI=1S/C14H22N6O3/c1-10(19-5-3-18(2)4-6-19)8-16-14-12(13(15)21)7-11(9-17-14)20(22)23/h7,9-10H,3-6,8H2,1-2H3,(H2,15,21)(H,16,17)
InChIKeyUQUGZAVWMGNBLQ-UHFFFAOYSA-N
MW322.37 g/mol
LogP0.14
Rot. Bonds6

About 2-[2-(4-methylpiperazin-1-yl)propylamino]-5-nitropyridine-3-carboxamide

2-[2-(4-methylpiperazin-1-yl)propylamino]-5-nitropyridine-3-carboxamide (PubChem CID 133287204) has the molecular formula C14H22N6O3 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-[2-(4-methylpiperazin-1-yl)propylamino]-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-(4-methylpiperazin-1-yl)propylamino]-5-nitropyridine-3-carboxamide
PubChem CID133287204
Molecular FormulaC14H22N6O3
Molecular Weight322.37 g/mol
Exact Mass322.18
IUPAC Name2-[2-(4-methylpiperazin-1-yl)propylamino]-5-nitropyridine-3-carboxamide
SMILESCC(CNc1ncc([N+](=O)[O-])cc1C(N)=O)N1CCN(C)CC1
InChIInChI=1S/C14H22N6O3/c1-10(19-5-3-18(2)4-6-19)8-16-14-12(13(15)21)7-11(9-17-14)20(22)23/h7,9-10H,3-6,8H2,1-2H3,(H2,15,21)(H,16,17)
InChIKeyUQUGZAVWMGNBLQ-UHFFFAOYSA-N
XLogP0.14
TPSA117.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[[2-methyl-3-(methylamino)propyl]amino]-5-nitropyridine-3-carboxamide
CID 115303189
5-nitro-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide
CID 55100789
2-[[(3-carbamoyl-5-nitro-2-pyridinyl)amino]methyl]butanoic acid
CID 65226388
2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitropyridine-3-carboxamide
CID 115310264
2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-5-nitropyridine-3-carboxamide
CID 133491788
5-nitro-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridine-3-carboxamide
CID 133486819
2-(ethylamino)-5-nitropyridine-3-carboxylic acid
CID 82470807
2-[(3-carbamoyl-5-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 79799261
5-nitro-2-[(2-propylcyclopropyl)amino]pyridine-3-carboxamide
CID 133327481
5-nitro-2-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyridine-3-carboxamide
CID 133476732
5-nitro-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]pyridine-3-carboxamide
CID 94178450
5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 54899460

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperazin-1-yl)propylamino]-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-[2-(4-methylpiperazin-1-yl)propylamino]-5-nitropyridine-3-carboxamide (CID 133287204) is 2-[2-(4-methylpiperazin-1-yl)propylamino]-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-[2-(4-methylpiperazin-1-yl)propylamino]-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-[2-(4-methylpiperazin-1-yl)propylamino]-5-nitropyridine-3-carboxamide is CC(CNc1ncc([N+](=O)[O-])cc1C(N)=O)N1CCN(C)CC1.
What is the InChIKey of 2-[2-(4-methylpiperazin-1-yl)propylamino]-5-nitropyridine-3-carboxamide?
The InChIKey is UQUGZAVWMGNBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O3/c1-10(19-5-3-18(2)4-6-19)8-16-14-12(13(15)21)7-11(9-17-14)20(22)23/h7,9-10H,3-6,8H2,1-2H3,(H2,15,21)(H,16,17).
What are the key properties of 2-[2-(4-methylpiperazin-1-yl)propylamino]-5-nitropyridine-3-carboxamide?
2-[2-(4-methylpiperazin-1-yl)propylamino]-5-nitropyridine-3-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperazin-1-yl)propylamino]-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 133287204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).