5-[4-(3-nitro-2-pyridinyl)piperazine-1-carbonyl]-1H-pyridin-2-one

C15H15N5O4 — CID 75416869

IUPAC5-[4-(3-nitro-2-pyridinyl)piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCN(c2ncccc2[N+](=O)[O-])CC1
InChIInChI=1S/C15H15N5O4/c21-13-4-3-11(10-17-13)15(22)19-8-6-18(7-9-19)14-12(20(23)24)2-1-5-16-14/h1-5,10H,6-9H2,(H,17,21)
InChIKeyOQBKONKESUFGTA-UHFFFAOYSA-N
MW329.32 g/mol
LogP0.64
Rot. Bonds3

About 5-[4-(3-nitro-2-pyridinyl)piperazine-1-carbonyl]-1H-pyridin-2-one

5-[4-(3-nitro-2-pyridinyl)piperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 75416869) has the molecular formula C15H15N5O4 and a molecular weight of 329.32 g/mol. Its IUPAC name is 5-[4-(3-nitro-2-pyridinyl)piperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-(3-nitro-2-pyridinyl)piperazine-1-carbonyl]-1H-pyridin-2-one
PubChem CID75416869
Molecular FormulaC15H15N5O4
Molecular Weight329.32 g/mol
Exact Mass329.11
IUPAC Name5-[4-(3-nitro-2-pyridinyl)piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCN(c2ncccc2[N+](=O)[O-])CC1
InChIInChI=1S/C15H15N5O4/c21-13-4-3-11(10-17-13)15(22)19-8-6-18(7-9-19)14-12(20(23)24)2-1-5-16-14/h1-5,10H,6-9H2,(H,17,21)
InChIKeyOQBKONKESUFGTA-UHFFFAOYSA-N
XLogP0.64
TPSA112.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 50.64
H-Bond Donors ≤ 51
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-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]but-2-yn-1-one
CID 142827420
1-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]prop-2-yn-1-one
CID 20763897
ethane;1-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]ethanone;propane
CID 142827395
5-(4-phenylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 4826168
1-[4-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]phenyl]ethanone
CID 9112318
[4-(3-nitro-2-pyridinyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 55626636
3-(4-fluorophenyl)-1-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]prop-2-yn-1-one
CID 142827397
2-amino-1-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 61260513
5-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 121058483
5-[4-(5-chloropyrimidin-2-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 86783720
[4-(2-nitrophenyl)piperazin-1-yl]-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 26782974
5-[4-(5-chloro-2-pyridinyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 56820279

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-nitro-2-pyridinyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-(3-nitro-2-pyridinyl)piperazine-1-carbonyl]-1H-pyridin-2-one (CID 75416869) is 5-[4-(3-nitro-2-pyridinyl)piperazine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-(3-nitro-2-pyridinyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-(3-nitro-2-pyridinyl)piperazine-1-carbonyl]-1H-pyridin-2-one is O=C(c1ccc(=O)[nH]c1)N1CCN(c2ncccc2[N+](=O)[O-])CC1.
What is the InChIKey of 5-[4-(3-nitro-2-pyridinyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is OQBKONKESUFGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O4/c21-13-4-3-11(10-17-13)15(22)19-8-6-18(7-9-19)14-12(20(23)24)2-1-5-16-14/h1-5,10H,6-9H2,(H,17,21).
What are the key properties of 5-[4-(3-nitro-2-pyridinyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
5-[4-(3-nitro-2-pyridinyl)piperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 329.32 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-nitro-2-pyridinyl)piperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 75416869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).