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

C21H30N4O4 — CID 71830726

IUPACN-[2-(diethylamino)ethyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide
SMILESCCN(CC)CCNC(=O)C(C)n1nc(-c2ccc(OC)cc2)c(OC)cc1=O
InChIInChI=1S/C21H30N4O4/c1-6-24(7-2)13-12-22-21(27)15(3)25-19(26)14-18(29-5)20(23-25)16-8-10-17(28-4)11-9-16/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,22,27)
InChIKeyYZRZHFFWOSFWPQ-UHFFFAOYSA-N
MW402.50 g/mol
LogP1.95
Rot. Bonds10

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

N-[2-(diethylamino)ethyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide (PubChem CID 71830726) has the molecular formula C21H30N4O4 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide
PubChem CID71830726
Molecular FormulaC21H30N4O4
Molecular Weight402.50 g/mol
Exact Mass402.23
IUPAC NameN-[2-(diethylamino)ethyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide
SMILESCCN(CC)CCNC(=O)C(C)n1nc(-c2ccc(OC)cc2)c(OC)cc1=O
InChIInChI=1S/C21H30N4O4/c1-6-24(7-2)13-12-22-21(27)15(3)25-19(26)14-18(29-5)20(23-25)16-8-10-17(28-4)11-9-16/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,22,27)
InChIKeyYZRZHFFWOSFWPQ-UHFFFAOYSA-N
XLogP1.95
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
(2R)-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylpropanamide
CID 97416197
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
(2S)-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 97416221
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
4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)butanamide
CID 71830821
N-[2-(diethylamino)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508966
N-[2-(diethylamino)ethyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 20953571

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide (CID 71830726) is N-[2-(diethylamino)ethyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide is CCN(CC)CCNC(=O)C(C)n1nc(-c2ccc(OC)cc2)c(OC)cc1=O.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide?
The InChIKey is YZRZHFFWOSFWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4/c1-6-24(7-2)13-12-22-21(27)15(3)25-19(26)14-18(29-5)20(23-25)16-8-10-17(28-4)11-9-16/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,22,27).
What are the key properties of N-[2-(diethylamino)ethyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide?
N-[2-(diethylamino)ethyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide has a molecular weight of 402.50 g/mol, XLogP of 1.95, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 71830726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).