1-(2-methoxyethyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-oxopyridazine-3-carboxamide

C21H28N4O4 — CID 30522946

IUPAC1-(2-methoxyethyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)ccc1=O
InChIInChI=1S/C21H28N4O4/c1-28-14-13-25-20(26)10-9-17(23-25)21(27)22-15-18(24-11-5-6-12-24)16-7-3-4-8-19(16)29-2/h3-4,7-10,18H,5-6,11-15H2,1-2H3,(H,22,27)/t18-/m0/s1
InChIKeyUJNGTNRWFGLLDK-SFHVURJKSA-N
MW400.48 g/mol
LogP1.47
Rot. Bonds9

About 1-(2-methoxyethyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-oxopyridazine-3-carboxamide

1-(2-methoxyethyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-oxopyridazine-3-carboxamide (PubChem CID 30522946) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-oxopyridazine-3-carboxamide
PubChem CID30522946
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC Name1-(2-methoxyethyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)ccc1=O
InChIInChI=1S/C21H28N4O4/c1-28-14-13-25-20(26)10-9-17(23-25)21(27)22-15-18(24-11-5-6-12-24)16-7-3-4-8-19(16)29-2/h3-4,7-10,18H,5-6,11-15H2,1-2H3,(H,22,27)/t18-/m0/s1
InChIKeyUJNGTNRWFGLLDK-SFHVURJKSA-N
XLogP1.47
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-oxo-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]-1-propylpyridazine-3-carboxamide
CID 30333373
N-[(2R)-2-hydroxypropyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 83031566
2-(2-methoxyethylamino)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide;dihydrochloride
CID 119849351
1-benzyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-oxopyridazine-3-carboxamide
CID 112789918
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-3-carboxamide
CID 30522983
N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 95570380
methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
CID 60533855
2-iodo-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 31307195
1-(2-methoxyphenyl)-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 17497858
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,4,6-trimethylbenzamide
CID 112810457
5-(4-bromophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 42272204
3-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide
CID 55950744

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-oxopyridazine-3-carboxamide (CID 30522946) is 1-(2-methoxyethyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-oxopyridazine-3-carboxamide is COCCn1nc(C(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)ccc1=O.
What is the InChIKey of 1-(2-methoxyethyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is UJNGTNRWFGLLDK-SFHVURJKSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-28-14-13-25-20(26)10-9-17(23-25)21(27)22-15-18(24-11-5-6-12-24)16-7-3-4-8-19(16)29-2/h3-4,7-10,18H,5-6,11-15H2,1-2H3,(H,22,27)/t18-/m0/s1.
What are the key properties of 1-(2-methoxyethyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-oxopyridazine-3-carboxamide?
1-(2-methoxyethyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 1.47, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 30522946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).