N-[3-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide

C19H19N5O5 — CID 4806035

IUPACN-[3-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
SMILESCCn1nc(C(=O)NNC(=O)CCNC(=O)c2ccco2)c2ccccc2c1=O
InChIInChI=1S/C19H19N5O5/c1-2-24-19(28)13-7-4-3-6-12(13)16(23-24)18(27)22-21-15(25)9-10-20-17(26)14-8-5-11-29-14/h3-8,11H,2,9-10H2,1H3,(H,20,26)(H,21,25)(H,22,27)
InChIKeyLAMHRWOLPZWOAL-UHFFFAOYSA-N
MW397.39 g/mol
LogP0.59
Rot. Bonds6

About N-[3-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide

N-[3-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide (PubChem CID 4806035) has the molecular formula C19H19N5O5 and a molecular weight of 397.39 g/mol. Its IUPAC name is N-[3-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
PubChem CID4806035
Molecular FormulaC19H19N5O5
Molecular Weight397.39 g/mol
Exact Mass397.14
IUPAC NameN-[3-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
SMILESCCn1nc(C(=O)NNC(=O)CCNC(=O)c2ccco2)c2ccccc2c1=O
InChIInChI=1S/C19H19N5O5/c1-2-24-19(28)13-7-4-3-6-12(13)16(23-24)18(27)22-21-15(25)9-10-20-17(26)14-8-5-11-29-14/h3-8,11H,2,9-10H2,1H3,(H,20,26)(H,21,25)(H,22,27)
InChIKeyLAMHRWOLPZWOAL-UHFFFAOYSA-N
XLogP0.59
TPSA135.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 50.59
H-Bond Donors ≤ 53
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-[4-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-4-oxobutyl]furan-2-carboxamide
CID 27563932
3-ethyl-N'-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-4-oxophthalazine-1-carbohydrazide
CID 26281878
3-ethyl-4-oxo-N'-(3-phenylsulfanylpropanoyl)phthalazine-1-carbohydrazide
CID 7979969
N'-[3-(furan-2-yl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 24586065
3-ethyl-4-oxo-N'-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]phthalazine-1-carbohydrazide
CID 35767282
3-benzyl-4-oxo-N-[3-oxo-3-(propylamino)propyl]phthalazine-1-carboxamide
CID 55954463
N'-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 7979951
N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 24540583
3-ethyl-4-oxo-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]phthalazine-1-carbohydrazide
CID 24532217
N-[4-[[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]carbamoyl]phenyl]furan-2-carboxamide
CID 27679094
N'-(4-cyclohexylbutanoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 7979954
N'-[2-(2-chloro-6-fluorophenyl)acetyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 7979948

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide (CID 4806035) is N-[3-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide is CCn1nc(C(=O)NNC(=O)CCNC(=O)c2ccco2)c2ccccc2c1=O.
What is the InChIKey of N-[3-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is LAMHRWOLPZWOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O5/c1-2-24-19(28)13-7-4-3-6-12(13)16(23-24)18(27)22-21-15(25)9-10-20-17(26)14-8-5-11-29-14/h3-8,11H,2,9-10H2,1H3,(H,20,26)(H,21,25)(H,22,27).
What are the key properties of N-[3-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide?
N-[3-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 397.39 g/mol, XLogP of 0.59, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 4806035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).