N-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide

C15H17N3O3 — CID 18076205

IUPACN-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(=O)n(C)n2)cc1
InChIInChI=1S/C15H17N3O3/c1-18-14(19)8-7-13(17-18)15(20)16-10-9-11-3-5-12(21-2)6-4-11/h3-8H,9-10H2,1-2H3,(H,16,20)
InChIKeyUEWPWEBUDYXDPT-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.76
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 18076205) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID18076205
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(=O)n(C)n2)cc1
InChIInChI=1S/C15H17N3O3/c1-18-14(19)8-7-13(17-18)15(20)16-10-9-11-3-5-12(21-2)6-4-11/h3-8H,9-10H2,1-2H3,(H,16,20)
InChIKeyUEWPWEBUDYXDPT-UHFFFAOYSA-N
XLogP0.76
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 25070031
6-(4-Methoxyphenyl)-2,3-dihydropyridazin-3-one
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N-[2-(4-prenyloxyphenyl)ethyl]tiglamide
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2-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 23725172
2-Benzyl-6-(4-methoxyphenyl)pyridazin-3-one
CID 6472426
2-allyl-6-(4-methoxystyryl)-4,5-dihydro-3(2H)-pyridazinone
CID 1475385
(Z)-3-(2-Methoxy-phenyl)-N-[1-methyl-2-phenyl-eth-(E)-ylidene-hydrazinocarbonylmethyl]-acrylamide
CID 9698992
N-(4-methoxybenzyl)-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
CID 3236385
6-(4-Methoxystyryl)-3-pyridazinol
CID 5707080
3(2H)-Pyridazinone, 2-ethyl-5,6-bis(4-methoxyphenyl)-
CID 9902312

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 18076205) is N-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide is COc1ccc(CCNC(=O)c2ccc(=O)n(C)n2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is UEWPWEBUDYXDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-18-14(19)8-7-13(17-18)15(20)16-10-9-11-3-5-12(21-2)6-4-11/h3-8H,9-10H2,1-2H3,(H,16,20).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 18076205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).