N'-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]-2,5-dimethylfuran-3-carbohydrazide

C20H20N4O5 — CID 9277211

IUPACN'-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c(C)o1
InChIInChI=1S/C20H20N4O5/c1-13-10-16(14(2)29-13)19(27)22-21-17(25)12-24-18(26)8-9-23(20(24)28)11-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,21,25)(H,22,27)
InChIKeyOIJRXRBGANZUAE-UHFFFAOYSA-N
MW396.40 g/mol
LogP0.73
Rot. Bonds5

About N'-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]-2,5-dimethylfuran-3-carbohydrazide

N'-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]-2,5-dimethylfuran-3-carbohydrazide (PubChem CID 9277211) has the molecular formula C20H20N4O5 and a molecular weight of 396.40 g/mol. Its IUPAC name is N'-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]-2,5-dimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]-2,5-dimethylfuran-3-carbohydrazide
PubChem CID9277211
Molecular FormulaC20H20N4O5
Molecular Weight396.40 g/mol
Exact Mass396.14
IUPAC NameN'-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c(C)o1
InChIInChI=1S/C20H20N4O5/c1-13-10-16(14(2)29-13)19(27)22-21-17(25)12-24-18(26)8-9-23(20(24)28)11-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,21,25)(H,22,27)
InChIKeyOIJRXRBGANZUAE-UHFFFAOYSA-N
XLogP0.73
TPSA115.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]-2,4-dimethylbenzohydrazide
CID 9276978
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 9369720
(2S)-2-[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-ethylpropanamide
CID 9470737
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-fluoro-5-methylphenyl)acetamide
CID 17497149
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-ethylphenyl)acetamide
CID 17498072
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-prop-2-enylacetamide
CID 9207698
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[2-(N-methylanilino)propyl]acetamide
CID 112826982
3-[[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]methyl]-N-ethylbenzamide
CID 112827568
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide
CID 9138324
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 112795849
N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide
CID 4808565
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 43033506

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]-2,5-dimethylfuran-3-carbohydrazide?
The IUPAC name of N'-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]-2,5-dimethylfuran-3-carbohydrazide (CID 9277211) is N'-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]-2,5-dimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]-2,5-dimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]-2,5-dimethylfuran-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c(C)o1.
What is the InChIKey of N'-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]-2,5-dimethylfuran-3-carbohydrazide?
The InChIKey is OIJRXRBGANZUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5/c1-13-10-16(14(2)29-13)19(27)22-21-17(25)12-24-18(26)8-9-23(20(24)28)11-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,21,25)(H,22,27).
What are the key properties of N'-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]-2,5-dimethylfuran-3-carbohydrazide?
N'-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]-2,5-dimethylfuran-3-carbohydrazide has a molecular weight of 396.40 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]-2,5-dimethylfuran-3-carbohydrazide is sourced from PubChem (CID 9277211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).