N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide

C22H30N4O4 — CID 51053620

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccc(CCNC(=O)Cn2nc(N3CCC(C)CC3)ccc2=O)cc1OC
InChIInChI=1S/C22H30N4O4/c1-16-9-12-25(13-10-16)20-6-7-22(28)26(24-20)15-21(27)23-11-8-17-4-5-18(29-2)19(14-17)30-3/h4-7,14,16H,8-13,15H2,1-3H3,(H,23,27)
InChIKeyYESRPHDVHSSDTL-UHFFFAOYSA-N
MW414.51 g/mol
LogP1.86
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 51053620) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide
PubChem CID51053620
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccc(CCNC(=O)Cn2nc(N3CCC(C)CC3)ccc2=O)cc1OC
InChIInChI=1S/C22H30N4O4/c1-16-9-12-25(13-10-16)20-6-7-22(28)26(24-20)15-21(27)23-11-8-17-4-5-18(29-2)19(14-17)30-3/h4-7,14,16H,8-13,15H2,1-3H3,(H,23,27)
InChIKeyYESRPHDVHSSDTL-UHFFFAOYSA-N
XLogP1.86
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 6620516
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29138973
3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2365750
1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119909301
2-(4-aminopiperidin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;hydrochloride
CID 119908061
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 5064395
2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 121050274
2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)-N-(2-phenylethyl)acetamide
CID 51052835
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856385
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)acetamide
CID 2793199
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 47006373
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 4065692

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide (CID 51053620) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide is COc1ccc(CCNC(=O)Cn2nc(N3CCC(C)CC3)ccc2=O)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is YESRPHDVHSSDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-16-9-12-25(13-10-16)20-6-7-22(28)26(24-20)15-21(27)23-11-8-17-4-5-18(29-2)19(14-17)30-3/h4-7,14,16H,8-13,15H2,1-3H3,(H,23,27).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 414.51 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 51053620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).