N-(2-methoxy-5-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide

C15H17N3O3 — CID 45497099

IUPACN-(2-methoxy-5-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)C(C)n1ncccc1=O
InChIInChI=1S/C15H17N3O3/c1-10-6-7-13(21-3)12(9-10)17-15(20)11(2)18-14(19)5-4-8-16-18/h4-9,11H,1-3H3,(H,17,20)
InChIKeyIEWBKOXVVBATFP-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.76
Rot. Bonds4

About N-(2-methoxy-5-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide

N-(2-methoxy-5-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide (PubChem CID 45497099) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
PubChem CID45497099
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)C(C)n1ncccc1=O
InChIInChI=1S/C15H17N3O3/c1-10-6-7-13(21-3)12(9-10)17-15(20)11(2)18-14(19)5-4-8-16-18/h4-9,11H,1-3H3,(H,17,20)
InChIKeyIEWBKOXVVBATFP-UHFFFAOYSA-N
XLogP1.76
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(2-methoxy-5-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 51868313
N-(5-acetamido-2-methoxyphenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 121079674
N-(2-methoxy-5-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 42949038
N-(2-methoxy-5-methylphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122279987
(2S)-N-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 9274960
(2S)-N-(2,5-dimethoxyphenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 28623167
(2S)-N-(3-chloro-2-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 51868316
(2S)-2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 7611381
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 86975962
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)propanamide
CID 22690513
N-(2-methylquinolin-4-yl)-2-(6-oxopyridazin-1-yl)propanamide
CID 121079728
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 19535692

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide (CID 45497099) is N-(2-methoxy-5-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide is COc1ccc(C)cc1NC(=O)C(C)n1ncccc1=O.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide?
The InChIKey is IEWBKOXVVBATFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-6-7-13(21-3)12(9-10)17-15(20)11(2)18-14(19)5-4-8-16-18/h4-9,11H,1-3H3,(H,17,20).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide?
N-(2-methoxy-5-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide has a molecular weight of 287.32 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide is sourced from PubChem (CID 45497099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).