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

C16H20N8O3 — CID 23490358

IUPACN'-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
SMILESCCN1CCN(c2ncnc(NNC(=O)c3ccccn3)c2[N+](=O)[O-])CC1
InChIInChI=1S/C16H20N8O3/c1-2-22-7-9-23(10-8-22)15-13(24(26)27)14(18-11-19-15)20-21-16(25)12-5-3-4-6-17-12/h3-6,11H,2,7-10H2,1H3,(H,21,25)(H,18,19,20)
InChIKeyFYQSHANPSMPKBM-UHFFFAOYSA-N
MW372.39 g/mol
LogP0.68
Rot. Bonds6

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

N'-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide (PubChem CID 23490358) has the molecular formula C16H20N8O3 and a molecular weight of 372.39 g/mol. Its IUPAC name is N'-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
PubChem CID23490358
Molecular FormulaC16H20N8O3
Molecular Weight372.39 g/mol
Exact Mass372.17
IUPAC NameN'-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
SMILESCCN1CCN(c2ncnc(NNC(=O)c3ccccn3)c2[N+](=O)[O-])CC1
InChIInChI=1S/C16H20N8O3/c1-2-22-7-9-23(10-8-22)15-13(24(26)27)14(18-11-19-15)20-21-16(25)12-5-3-4-6-17-12/h3-6,11H,2,7-10H2,1H3,(H,21,25)(H,18,19,20)
InChIKeyFYQSHANPSMPKBM-UHFFFAOYSA-N
XLogP0.68
TPSA129.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 50.68
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-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 23490359
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-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 22536718
N'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide
CID 23487392
N'-[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide
CID 23491258
N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 23488775
2-chloro-N'-(5-nitro-6-pyrrolidin-1-ylpyrimidin-4-yl)benzohydrazide
CID 23489238
N'-(6-chloro-5-nitropyrimidin-4-yl)pyridine-2-carbohydrazide
CID 23477377
N'-[6-(2-benzoylhydrazinyl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 22535003
6-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)-5-nitropyrimidin-4-amine
CID 23490316
2-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-1,1-dimethylhydrazine
CID 23490289

Frequently Asked Questions

What is the IUPAC name of N'-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide?
The IUPAC name of N'-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide (CID 23490358) is N'-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide is CCN1CCN(c2ncnc(NNC(=O)c3ccccn3)c2[N+](=O)[O-])CC1.
What is the InChIKey of N'-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide?
The InChIKey is FYQSHANPSMPKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O3/c1-2-22-7-9-23(10-8-22)15-13(24(26)27)14(18-11-19-15)20-21-16(25)12-5-3-4-6-17-12/h3-6,11H,2,7-10H2,1H3,(H,21,25)(H,18,19,20).
What are the key properties of N'-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide?
N'-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide has a molecular weight of 372.39 g/mol, XLogP of 0.68, 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]pyridine-2-carbohydrazide is sourced from PubChem (CID 23490358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).