N-(oxolan-2-ylmethyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide

C18H23N3O3 — CID 24789941

IUPACN-(oxolan-2-ylmethyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide
SMILESO=C(CCN1N=C(c2ccccc2)CCC1=O)NCC1CCCO1
InChIInChI=1S/C18H23N3O3/c22-17(19-13-15-7-4-12-24-15)10-11-21-18(23)9-8-16(20-21)14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H,19,22)
InChIKeyMLSYZSBLROCREU-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.70
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide

N-(oxolan-2-ylmethyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide (PubChem CID 24789941) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide
PubChem CID24789941
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-(oxolan-2-ylmethyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide
SMILESO=C(CCN1N=C(c2ccccc2)CCC1=O)NCC1CCCO1
InChIInChI=1S/C18H23N3O3/c22-17(19-13-15-7-4-12-24-15)10-11-21-18(23)9-8-16(20-21)14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H,19,22)
InChIKeyMLSYZSBLROCREU-UHFFFAOYSA-N
XLogP1.70
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide
CID 6624453
N-butyl-3-(6-oxo-3-phenyl-5,6-dihydropyridazin-1(4H)-yl)propanamide
CID 15992445
3-(1-oxo-4-phenylphthalazin-2(1H)-yl)-N-(tetrahydrofuran-2-ylmethyl)propanamide
CID 662201
N-[3-(Morpholin-4-YL)propyl]-3-(6-oxo-3-phenyl-1,4,5,6-tetrahydropyridazin-1-YL)propanamide
CID 24789938
N-(3-methoxypropyl)-3-(6-oxo-3-phenyl-5,6-dihydropyridazin-1(4H)-yl)propanamide
CID 16001575
N-(2-methoxyethyl)-3-(6-oxo-3-phenyl-5,6-dihydropyridazin-1(4H)-yl)propanamide
CID 24761518
3-[3-(4-Methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridazin-1-YL]-N-[3-(morpholin-4-YL)propyl]propanamide
CID 16001611
N-(oxolan-2-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053348
N-Cyclohexyl-3-(6-oxo-3-phenyl-1,4,5,6-tetrahydropyridazin-1-YL)propanamide
CID 45107071
3-(4-fluorophenyl)-N-(tetrahydrofuran-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 6622682
2-(3-(4-fluorophenyl)-6-oxopyridazin-1(6H)-yl)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CID 18584222
3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 24792839

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide (CID 24789941) is N-(oxolan-2-ylmethyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide is O=C(CCN1N=C(c2ccccc2)CCC1=O)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide?
The InChIKey is MLSYZSBLROCREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c22-17(19-13-15-7-4-12-24-15)10-11-21-18(23)9-8-16(20-21)14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H,19,22).
What are the key properties of N-(oxolan-2-ylmethyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide?
N-(oxolan-2-ylmethyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide has a molecular weight of 329.40 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide is sourced from PubChem (CID 24789941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).