N'-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide

C15H19N7O4 — CID 23490359

IUPACN'-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
SMILESCCN1CCN(c2ncnc(NNC(=O)c3ccco3)c2[N+](=O)[O-])CC1
InChIInChI=1S/C15H19N7O4/c1-2-20-5-7-21(8-6-20)14-12(22(24)25)13(16-10-17-14)18-19-15(23)11-4-3-9-26-11/h3-4,9-10H,2,5-8H2,1H3,(H,19,23)(H,16,17,18)
InChIKeyNQBUJGMQEFCADC-UHFFFAOYSA-N
MW361.36 g/mol
LogP0.88
Rot. Bonds6

About N'-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide

N'-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide (PubChem CID 23490359) has the molecular formula C15H19N7O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is N'-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
PubChem CID23490359
Molecular FormulaC15H19N7O4
Molecular Weight361.36 g/mol
Exact Mass361.15
IUPAC NameN'-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
SMILESCCN1CCN(c2ncnc(NNC(=O)c3ccco3)c2[N+](=O)[O-])CC1
InChIInChI=1S/C15H19N7O4/c1-2-20-5-7-21(8-6-20)14-12(22(24)25)13(16-10-17-14)18-19-15(23)11-4-3-9-26-11/h3-4,9-10H,2,5-8H2,1H3,(H,19,23)(H,16,17,18)
InChIKeyNQBUJGMQEFCADC-UHFFFAOYSA-N
XLogP0.88
TPSA129.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)furan-2-carbohydrazide
CID 23489620
N'-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22536790
N'-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 23490358
N'-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide
CID 23490349
4-chloro-N'-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide
CID 23490352
N'-[6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 23481821
N'-[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide
CID 23491258
N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide
CID 22526845
N'-[6-(3,5-dimethylanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 23479503
N'-[6-(cyclopentylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22536797
N'-[5-nitro-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidin-4-yl]furan-2-carbohydrazide
CID 23492854
6-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)-5-nitropyrimidin-4-amine
CID 23490316

Frequently Asked Questions

What is the IUPAC name of N'-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide?
The IUPAC name of N'-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide (CID 23490359) is N'-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide?
The canonical SMILES for N'-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide is CCN1CCN(c2ncnc(NNC(=O)c3ccco3)c2[N+](=O)[O-])CC1.
What is the InChIKey of N'-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide?
The InChIKey is NQBUJGMQEFCADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O4/c1-2-20-5-7-21(8-6-20)14-12(22(24)25)13(16-10-17-14)18-19-15(23)11-4-3-9-26-11/h3-4,9-10H,2,5-8H2,1H3,(H,19,23)(H,16,17,18).
What are the key properties of N'-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide?
N'-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide has a molecular weight of 361.36 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide is sourced from PubChem (CID 23490359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).