N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetyl]furan-2-carbohydrazide

C14H16N4O4 — CID 135492724

IUPACN'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetyl]furan-2-carbohydrazide
SMILESCCc1c(C)nc(CC(=O)NNC(=O)c2ccco2)[nH]c1=O
InChIInChI=1S/C14H16N4O4/c1-3-9-8(2)15-11(16-13(9)20)7-12(19)17-18-14(21)10-5-4-6-22-10/h4-6H,3,7H2,1-2H3,(H,17,19)(H,18,21)(H,15,16,20)
InChIKeyCQLQGPPWENZSLD-UHFFFAOYSA-N
MW304.31 g/mol
LogP0.24
Rot. Bonds4

About N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetyl]furan-2-carbohydrazide

N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetyl]furan-2-carbohydrazide (PubChem CID 135492724) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetyl]furan-2-carbohydrazide
PubChem CID135492724
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC NameN'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetyl]furan-2-carbohydrazide
SMILESCCc1c(C)nc(CC(=O)NNC(=O)c2ccco2)[nH]c1=O
InChIInChI=1S/C14H16N4O4/c1-3-9-8(2)15-11(16-13(9)20)7-12(19)17-18-14(21)10-5-4-6-22-10/h4-6H,3,7H2,1-2H3,(H,17,19)(H,18,21)(H,15,16,20)
InChIKeyCQLQGPPWENZSLD-UHFFFAOYSA-N
XLogP0.24
TPSA117.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]acetamide
CID 137225405
N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]furan-2-carbohydrazide
CID 2547939
N'-[2-(3-ethyl-5,8-dimethylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide
CID 3208186
N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]furan-2-carbohydrazide
CID 18159487
N'-[2-(4-ethylphenoxy)acetyl]furan-2-carbohydrazide
CID 2369990
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8837719
N'-[2-[(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetyl]furan-2-carbohydrazide
CID 3208350
N-[2-[(propanoylamino)carbamoyl]phenyl]furan-2-carboxamide
CID 126003002
methyl N-(furan-2-carbonylamino)carbamate
CID 909545
N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-methylpropanamide
CID 136615045
N'-[2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetyl]furan-2-carbohydrazide
CID 9476496
N-[2-[(4-chlorophenyl)methyl]-4-ethoxy-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide
CID 18982102

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetyl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetyl]furan-2-carbohydrazide (CID 135492724) is N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetyl]furan-2-carbohydrazide is CCc1c(C)nc(CC(=O)NNC(=O)c2ccco2)[nH]c1=O.
What is the InChIKey of N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetyl]furan-2-carbohydrazide?
The InChIKey is CQLQGPPWENZSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-3-9-8(2)15-11(16-13(9)20)7-12(19)17-18-14(21)10-5-4-6-22-10/h4-6H,3,7H2,1-2H3,(H,17,19)(H,18,21)(H,15,16,20).
What are the key properties of N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetyl]furan-2-carbohydrazide?
N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetyl]furan-2-carbohydrazide has a molecular weight of 304.31 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetyl]furan-2-carbohydrazide is sourced from PubChem (CID 135492724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).