2-ethyl-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6-diphenylpyridazine-4-carboxamide

C26H28N4O3 — CID 108790708

IUPAC2-ethyl-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6-diphenylpyridazine-4-carboxamide
SMILESCCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)NCCCN2CCCC2=O)c1=O
InChIInChI=1S/C26H28N4O3/c1-2-30-26(33)23(25(32)27-16-10-18-29-17-9-15-21(29)31)22(19-11-5-3-6-12-19)24(28-30)20-13-7-4-8-14-20/h3-8,11-14H,2,9-10,15-18H2,1H3,(H,27,32)
InChIKeyBWWQTXXAFQHUKK-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.34
Rot. Bonds8

About 2-ethyl-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6-diphenylpyridazine-4-carboxamide

2-ethyl-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6-diphenylpyridazine-4-carboxamide (PubChem CID 108790708) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 2-ethyl-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6-diphenylpyridazine-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6-diphenylpyridazine-4-carboxamide
PubChem CID108790708
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name2-ethyl-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6-diphenylpyridazine-4-carboxamide
SMILESCCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)NCCCN2CCCC2=O)c1=O
InChIInChI=1S/C26H28N4O3/c1-2-30-26(33)23(25(32)27-16-10-18-29-17-9-15-21(29)31)22(19-11-5-3-6-12-19)24(28-30)20-13-7-4-8-14-20/h3-8,11-14H,2,9-10,15-18H2,1H3,(H,27,32)
InChIKeyBWWQTXXAFQHUKK-UHFFFAOYSA-N
XLogP3.34
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-(3-methoxypropyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790743
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
2-methyl-3-oxo-5,6-diphenyl-N-propylpyridazine-4-carboxamide
CID 108790559
3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-carboxamide
CID 24982065
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 27258939
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 46104727
2-ethyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide
CID 108803445
4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 50815808
2-ethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-1-carboxamide
CID 17173082
N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271596
2-methyl-3-oxo-5,6-diphenyl-N-(3-propan-2-yloxypropyl)pyridazine-4-carboxamide
CID 108790644
6-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide
CID 62233313

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6-diphenylpyridazine-4-carboxamide?
The IUPAC name of 2-ethyl-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6-diphenylpyridazine-4-carboxamide (CID 108790708) is 2-ethyl-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6-diphenylpyridazine-4-carboxamide.
What is the SMILES notation for 2-ethyl-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6-diphenylpyridazine-4-carboxamide?
The canonical SMILES for 2-ethyl-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6-diphenylpyridazine-4-carboxamide is CCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)NCCCN2CCCC2=O)c1=O.
What is the InChIKey of 2-ethyl-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6-diphenylpyridazine-4-carboxamide?
The InChIKey is BWWQTXXAFQHUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-2-30-26(33)23(25(32)27-16-10-18-29-17-9-15-21(29)31)22(19-11-5-3-6-12-19)24(28-30)20-13-7-4-8-14-20/h3-8,11-14H,2,9-10,15-18H2,1H3,(H,27,32).
What are the key properties of 2-ethyl-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6-diphenylpyridazine-4-carboxamide?
2-ethyl-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6-diphenylpyridazine-4-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6-diphenylpyridazine-4-carboxamide is sourced from PubChem (CID 108790708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).