N'-[6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide

C17H14N6O4 — CID 23481821

IUPACN'-[6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
SMILESO=C(NNc1ncnc(N2CCc3ccccc32)c1[N+](=O)[O-])c1ccco1
InChIInChI=1S/C17H14N6O4/c24-17(13-6-3-9-27-13)21-20-15-14(23(25)26)16(19-10-18-15)22-8-7-11-4-1-2-5-12(11)22/h1-6,9-10H,7-8H2,(H,21,24)(H,18,19,20)
InChIKeyHLMNHSVQIFQCJF-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.43
Rot. Bonds5

About N'-[6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide

N'-[6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide (PubChem CID 23481821) has the molecular formula C17H14N6O4 and a molecular weight of 366.34 g/mol. Its IUPAC name is N'-[6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
PubChem CID23481821
Molecular FormulaC17H14N6O4
Molecular Weight366.34 g/mol
Exact Mass366.11
IUPAC NameN'-[6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
SMILESO=C(NNc1ncnc(N2CCc3ccccc32)c1[N+](=O)[O-])c1ccco1
InChIInChI=1S/C17H14N6O4/c24-17(13-6-3-9-27-13)21-20-15-14(23(25)26)16(19-10-18-15)22-8-7-11-4-1-2-5-12(11)22/h1-6,9-10H,7-8H2,(H,21,24)(H,18,19,20)
InChIKeyHLMNHSVQIFQCJF-UHFFFAOYSA-N
XLogP2.43
TPSA126.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-(3,4-dihydro-2H-quinolin-1-yl)-5-nitropyrimidin-4-yl]-2-fluorobenzohydrazide
CID 22531446
N'-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 23490359
N'-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22536790
N-(2-chlorophenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine
CID 23481771
N'-[6-(cyclopentylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22536797
N'-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)furan-2-carbohydrazide
CID 22534044
N'-[5-nitro-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidin-4-yl]furan-2-carbohydrazide
CID 23492854
4-[[6-[2-(furan-2-carbonyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzoic acid
CID 22536812
N'-[6-[2-(4-bromobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22535448
N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide
CID 22526845
N-(2,5-difluorophenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine
CID 23481857

Frequently Asked Questions

What is the IUPAC name of N'-[6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide?
The IUPAC name of N'-[6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide (CID 23481821) is N'-[6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide?
The canonical SMILES for N'-[6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide is O=C(NNc1ncnc(N2CCc3ccccc32)c1[N+](=O)[O-])c1ccco1.
What is the InChIKey of N'-[6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide?
The InChIKey is HLMNHSVQIFQCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O4/c24-17(13-6-3-9-27-13)21-20-15-14(23(25)26)16(19-10-18-15)22-8-7-11-4-1-2-5-12(11)22/h1-6,9-10H,7-8H2,(H,21,24)(H,18,19,20).
What are the key properties of N'-[6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide?
N'-[6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide has a molecular weight of 366.34 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide is sourced from PubChem (CID 23481821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).