N-benzyl-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)propanamide

C26H25N3O3 — CID 121076114

IUPACN-benzyl-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)propanamide
SMILESCC(C(=O)N(CCc1ccccc1)Cc1ccccc1)n1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C26H25N3O3/c1-20(29-25(30)15-14-23(27-29)24-13-8-18-32-24)26(31)28(19-22-11-6-3-7-12-22)17-16-21-9-4-2-5-10-21/h2-15,18,20H,16-17,19H2,1H3
InChIKeyKIVOZDGHEVIJBW-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.34
Rot. Bonds8

About N-benzyl-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)propanamide

N-benzyl-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)propanamide (PubChem CID 121076114) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-benzyl-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound NameN-benzyl-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)propanamide
PubChem CID121076114
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC NameN-benzyl-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)propanamide
SMILESCC(C(=O)N(CCc1ccccc1)Cc1ccccc1)n1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C26H25N3O3/c1-20(29-25(30)15-14-23(27-29)24-13-8-18-32-24)26(31)28(19-22-11-6-3-7-12-22)17-16-21-9-4-2-5-10-21/h2-15,18,20H,16-17,19H2,1H3
InChIKeyKIVOZDGHEVIJBW-UHFFFAOYSA-N
XLogP4.34
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-methylpropanamide
CID 121076093
N,N-dibenzyl-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101195
N,N-dibenzyl-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121100938
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 121076228
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 121076062
2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one
CID 121076220
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 56723989
(2R)-2-amino-N-benzyl-N-(2-phenylethyl)propanamide
CID 78973061
6-(furan-2-yl)-2-[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]pyridazin-3-one
CID 121075997
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,2-oxazol-3-yl)propanamide
CID 121076102
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-4-phenylbutanamide
CID 16905505
N-benzyl-3-(furan-2-yl)-1-(3-nitrophenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 1053910

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)propanamide?
The IUPAC name of N-benzyl-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)propanamide (CID 121076114) is N-benzyl-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for N-benzyl-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)propanamide?
The canonical SMILES for N-benzyl-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)propanamide is CC(C(=O)N(CCc1ccccc1)Cc1ccccc1)n1nc(-c2ccco2)ccc1=O.
What is the InChIKey of N-benzyl-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)propanamide?
The InChIKey is KIVOZDGHEVIJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-20(29-25(30)15-14-23(27-29)24-13-8-18-32-24)26(31)28(19-22-11-6-3-7-12-22)17-16-21-9-4-2-5-10-21/h2-15,18,20H,16-17,19H2,1H3.
What are the key properties of N-benzyl-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)propanamide?
N-benzyl-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)propanamide has a molecular weight of 427.50 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 121076114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).