2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)propanamide

C19H25N3O4 — CID 71830722

IUPAC2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)propanamide
SMILESCOc1ccc(-c2nn(C(C)C(=O)NCC(C)C)c(=O)cc2OC)cc1
InChIInChI=1S/C19H25N3O4/c1-12(2)11-20-19(24)13(3)22-17(23)10-16(26-5)18(21-22)14-6-8-15(25-4)9-7-14/h6-10,12-13H,11H2,1-5H3,(H,20,24)
InChIKeyKJNLFOJIDIQCRL-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.26
Rot. Bonds7

About 2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)propanamide

2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)propanamide (PubChem CID 71830722) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)propanamide
PubChem CID71830722
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)propanamide
SMILESCOc1ccc(-c2nn(C(C)C(=O)NCC(C)C)c(=O)cc2OC)cc1
InChIInChI=1S/C19H25N3O4/c1-12(2)11-20-19(24)13(3)22-17(23)10-16(26-5)18(21-22)14-6-8-15(25-4)9-7-14/h6-10,12-13H,11H2,1-5H3,(H,20,24)
InChIKeyKJNLFOJIDIQCRL-UHFFFAOYSA-N
XLogP2.26
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide
CID 71830715
(2R)-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylpropanamide
CID 97416197
N-[2-(diethylamino)ethyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide
CID 71830726
N-cyclopropyl-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide
CID 71830744
(2S)-N-[(2-fluorophenyl)methyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide
CID 97416223
(2S)-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-2-pyridinyl)propanamide
CID 97416124
4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)butanamide
CID 71830821
(2S)-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 97416221
2-(4-methoxyphenyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 110316901
3-(4-methoxyphenyl)-1-(4-methylphenyl)-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 42755289
3-[[2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide
CID 91954798
N-butyl-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 71830851

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)propanamide (CID 71830722) is 2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)propanamide is COc1ccc(-c2nn(C(C)C(=O)NCC(C)C)c(=O)cc2OC)cc1.
What is the InChIKey of 2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)propanamide?
The InChIKey is KJNLFOJIDIQCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-12(2)11-20-19(24)13(3)22-17(23)10-16(26-5)18(21-22)14-6-8-15(25-4)9-7-14/h6-10,12-13H,11H2,1-5H3,(H,20,24).
What are the key properties of 2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)propanamide?
2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)propanamide has a molecular weight of 359.43 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 71830722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).