1-(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)piperidine-4-carboxamide

C23H22N4O3 — CID 108803582

IUPAC1-(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)CC1
InChIInChI=1S/C23H22N4O3/c24-21(28)17-11-13-27(14-12-17)23(30)19-18(15-7-3-1-4-8-15)20(25-26-22(19)29)16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H2,24,28)(H,26,29)
InChIKeySWWNLULUNFBAML-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.44
Rot. Bonds4

About 1-(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)piperidine-4-carboxamide

1-(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)piperidine-4-carboxamide (PubChem CID 108803582) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 1-(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)piperidine-4-carboxamide
PubChem CID108803582
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name1-(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)CC1
InChIInChI=1S/C23H22N4O3/c24-21(28)17-11-13-27(14-12-17)23(30)19-18(15-7-3-1-4-8-15)20(25-26-22(19)29)16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H2,24,28)(H,26,29)
InChIKeySWWNLULUNFBAML-UHFFFAOYSA-N
XLogP2.44
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-3,4-diphenyl-1H-pyridazin-6-one
CID 108732196
1-(6-phenylimidazo[2,1-b][1,3]thiazole-3-carbonyl)piperidine-4-carboxamide
CID 42270233
1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 1093757
(4-aminopiperidin-1-yl)-(4-bromo-3-phenyl-1H-pyrazol-5-yl)methanone;hydrochloride
CID 119376856
1-(2-phenyl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide
CID 119137409
(4-bromophenyl) 6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxylate
CID 20999041
N-[(1-cyclopropyl-2,4-dioxopyrimidin-5-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 166333099
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108737815
1-(1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 166600812
N-(2-oxaspiro[3.5]nonan-7-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 166333094
1-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide
CID 8571035
N-[3-(cyanomethyl)cyclobutyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 166333039

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)piperidine-4-carboxamide (CID 108803582) is 1-(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)CC1.
What is the InChIKey of 1-(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)piperidine-4-carboxamide?
The InChIKey is SWWNLULUNFBAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c24-21(28)17-11-13-27(14-12-17)23(30)19-18(15-7-3-1-4-8-15)20(25-26-22(19)29)16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H2,24,28)(H,26,29).
What are the key properties of 1-(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)piperidine-4-carboxamide?
1-(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)piperidine-4-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 108803582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).