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

C18H21N3O4 — CID 71830744

IUPACN-cyclopropyl-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide
SMILESCOc1ccc(-c2nn(C(C)C(=O)NC3CC3)c(=O)cc2OC)cc1
InChIInChI=1S/C18H21N3O4/c1-11(18(23)19-13-6-7-13)21-16(22)10-15(25-3)17(20-21)12-4-8-14(24-2)9-5-12/h4-5,8-11,13H,6-7H2,1-3H3,(H,19,23)
InChIKeyQBWJYGWEDVGZAC-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.77
Rot. Bonds6

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

N-cyclopropyl-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide (PubChem CID 71830744) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide
PubChem CID71830744
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-cyclopropyl-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide
SMILESCOc1ccc(-c2nn(C(C)C(=O)NC3CC3)c(=O)cc2OC)cc1
InChIInChI=1S/C18H21N3O4/c1-11(18(23)19-13-6-7-13)21-16(22)10-15(25-3)17(20-21)12-4-8-14(24-2)9-5-12/h4-5,8-11,13H,6-7H2,1-3H3,(H,19,23)
InChIKeyQBWJYGWEDVGZAC-UHFFFAOYSA-N
XLogP1.77
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylpropanamide
CID 97416197
N-ethyl-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide
CID 71830715
2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)propanamide
CID 71830722
N-[2-(diethylamino)ethyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide
CID 71830726
(2S)-N-[(2-fluorophenyl)methyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide
CID 97416223
(2R)-N-cyclopropyl-2-(4-methoxyphenoxy)propanamide
CID 7865701
4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)butanamide
CID 71830821
N-cyclopropyl-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide
CID 110215343
N-cyclopropyl-2-[4-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]propanamide
CID 138033404
N-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
CID 45495603
N-cyclohexyl-2-(1-oxo-4-phenylphthalazin-2-yl)propanamide
CID 11291808
5-methoxy-6-(4-methoxyphenyl)-2-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]pyridazin-3-one
CID 71830829

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide (CID 71830744) is N-cyclopropyl-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide is COc1ccc(-c2nn(C(C)C(=O)NC3CC3)c(=O)cc2OC)cc1.
What is the InChIKey of N-cyclopropyl-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide?
The InChIKey is QBWJYGWEDVGZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-11(18(23)19-13-6-7-13)21-16(22)10-15(25-3)17(20-21)12-4-8-14(24-2)9-5-12/h4-5,8-11,13H,6-7H2,1-3H3,(H,19,23).
What are the key properties of N-cyclopropyl-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide?
N-cyclopropyl-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide has a molecular weight of 343.38 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 71830744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).