6-oxo-N-[2-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]ethyl]-1H-pyridazine-3-carboxamide

C20H23N5O4 — CID 108540908

IUPAC6-oxo-N-[2-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]ethyl]-1H-pyridazine-3-carboxamide
SMILESCC(c1ccccc1)N1CC(C(=O)NCCNC(=O)c2ccc(=O)[nH]n2)CC1=O
InChIInChI=1S/C20H23N5O4/c1-13(14-5-3-2-4-6-14)25-12-15(11-18(25)27)19(28)21-9-10-22-20(29)16-7-8-17(26)24-23-16/h2-8,13,15H,9-12H2,1H3,(H,21,28)(H,22,29)(H,24,26)
InChIKeyJBEGQEMPQOXPKZ-UHFFFAOYSA-N
MW397.44 g/mol
LogP0.23
Rot. Bonds7

About 6-oxo-N-[2-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]ethyl]-1H-pyridazine-3-carboxamide

6-oxo-N-[2-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]ethyl]-1H-pyridazine-3-carboxamide (PubChem CID 108540908) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol. Its IUPAC name is 6-oxo-N-[2-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]ethyl]-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[2-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]ethyl]-1H-pyridazine-3-carboxamide
PubChem CID108540908
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC Name6-oxo-N-[2-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]ethyl]-1H-pyridazine-3-carboxamide
SMILESCC(c1ccccc1)N1CC(C(=O)NCCNC(=O)c2ccc(=O)[nH]n2)CC1=O
InChIInChI=1S/C20H23N5O4/c1-13(14-5-3-2-4-6-14)25-12-15(11-18(25)27)19(28)21-9-10-22-20(29)16-7-8-17(26)24-23-16/h2-8,13,15H,9-12H2,1H3,(H,21,28)(H,22,29)(H,24,26)
InChIKeyJBEGQEMPQOXPKZ-UHFFFAOYSA-N
XLogP0.23
TPSA124.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-oxo-N-[2-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]ethyl]-1H-pyridazine-3-carboxamide with MolForge

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Related Compounds

N-[2-(2-methylpropanoylamino)ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108540941
N-[2-(2-chloropropanoylamino)ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108572284
N-[2-[(4-tert-butylbenzoyl)amino]ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108540900
N-(2-aminoethyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119381978
N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108540904
5-oxo-1-(1-phenylethyl)-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113183406
(3R)-5-oxo-1-[(1R)-1-phenylethyl]-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide
CID 9465248
(3S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 95134283
5-oxo-N-[2-(oxolane-2-carbonylamino)ethyl]-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108540911
5-oxo-1-(1-phenylethyl)-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119444737
N-[2-(4-aminophenyl)ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 119547411
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 120945493

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[2-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]ethyl]-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[2-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]ethyl]-1H-pyridazine-3-carboxamide (CID 108540908) is 6-oxo-N-[2-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]ethyl]-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[2-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]ethyl]-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[2-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]ethyl]-1H-pyridazine-3-carboxamide is CC(c1ccccc1)N1CC(C(=O)NCCNC(=O)c2ccc(=O)[nH]n2)CC1=O.
What is the InChIKey of 6-oxo-N-[2-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]ethyl]-1H-pyridazine-3-carboxamide?
The InChIKey is JBEGQEMPQOXPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4/c1-13(14-5-3-2-4-6-14)25-12-15(11-18(25)27)19(28)21-9-10-22-20(29)16-7-8-17(26)24-23-16/h2-8,13,15H,9-12H2,1H3,(H,21,28)(H,22,29)(H,24,26).
What are the key properties of 6-oxo-N-[2-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]ethyl]-1H-pyridazine-3-carboxamide?
6-oxo-N-[2-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]ethyl]-1H-pyridazine-3-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 0.23, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[2-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]ethyl]-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 108540908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).