N'-[6-[2-(4-bromobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide

C16H12BrN7O5 — CID 22535448

IUPACN'-[6-[2-(4-bromobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
SMILESO=C(NNc1ncnc(NNC(=O)c2ccco2)c1[N+](=O)[O-])c1ccc(Br)cc1
InChIInChI=1S/C16H12BrN7O5/c17-10-5-3-9(4-6-10)15(25)22-20-13-12(24(27)28)14(19-8-18-13)21-23-16(26)11-2-1-7-29-11/h1-8H,(H,22,25)(H,23,26)(H2,18,19,20,21)
InChIKeyPELNEPIVDQPWNN-UHFFFAOYSA-N
MW462.22 g/mol
LogP2.25
Rot. Bonds7

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

N'-[6-[2-(4-bromobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide (PubChem CID 22535448) has the molecular formula C16H12BrN7O5 and a molecular weight of 462.22 g/mol. Its IUPAC name is N'-[6-[2-(4-bromobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[6-[2-(4-bromobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
PubChem CID22535448
Molecular FormulaC16H12BrN7O5
Molecular Weight462.22 g/mol
Exact Mass461.01
IUPAC NameN'-[6-[2-(4-bromobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
SMILESO=C(NNc1ncnc(NNC(=O)c2ccco2)c1[N+](=O)[O-])c1ccc(Br)cc1
InChIInChI=1S/C16H12BrN7O5/c17-10-5-3-9(4-6-10)15(25)22-20-13-12(24(27)28)14(19-8-18-13)21-23-16(26)11-2-1-7-29-11/h1-8H,(H,22,25)(H,23,26)(H2,18,19,20,21)
InChIKeyPELNEPIVDQPWNN-UHFFFAOYSA-N
XLogP2.25
TPSA164.32 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.22
LogP ≤ 52.25
H-Bond Donors ≤ 54
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'}

Analyze N'-[6-[2-(4-bromobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N'-[6-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22528671
4-[[6-[2-(furan-2-carbonyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzoic acid
CID 22536812
N'-[6-(3,5-dimethylanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 23479503
N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide
CID 22526845
N'-[6-(cyclopentylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22536797
N'-[6-[2-(4-bromobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]-3-chlorobenzohydrazide
CID 22535440
N'-[6-(3,4-dichloroanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 23485550
N'-[6-(4-bromoanilino)-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide
CID 22533079
dimethyl 5-[[6-[2-(furan-2-carbonyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 23486384
N'-[6-(2,4-dimethylanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 23495475
N'-(4-bromobenzoyl)furan-2-carbohydrazide
CID 687073
N'-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)furan-2-carbohydrazide
CID 22534044

Frequently Asked Questions

What is the IUPAC name of N'-[6-[2-(4-bromobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide?
The IUPAC name of N'-[6-[2-(4-bromobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide (CID 22535448) is N'-[6-[2-(4-bromobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[6-[2-(4-bromobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide?
The canonical SMILES for N'-[6-[2-(4-bromobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide is O=C(NNc1ncnc(NNC(=O)c2ccco2)c1[N+](=O)[O-])c1ccc(Br)cc1.
What is the InChIKey of N'-[6-[2-(4-bromobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide?
The InChIKey is PELNEPIVDQPWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN7O5/c17-10-5-3-9(4-6-10)15(25)22-20-13-12(24(27)28)14(19-8-18-13)21-23-16(26)11-2-1-7-29-11/h1-8H,(H,22,25)(H,23,26)(H2,18,19,20,21).
What are the key properties of N'-[6-[2-(4-bromobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide?
N'-[6-[2-(4-bromobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide has a molecular weight of 462.22 g/mol, XLogP of 2.25, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-[2-(4-bromobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide is sourced from PubChem (CID 22535448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).