5-(dimethylamino)-2-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one

C19H24N4O3 — CID 45245591

IUPAC5-(dimethylamino)-2-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESCOc1ccccc1C1CCCN1C(=O)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C19H24N4O3/c1-21(2)14-11-18(24)23(20-12-14)13-19(25)22-10-6-8-16(22)15-7-4-5-9-17(15)26-3/h4-5,7,9,11-12,16H,6,8,10,13H2,1-3H3
InChIKeyLUPBLHMWTXATKL-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.68
Rot. Bonds5

About 5-(dimethylamino)-2-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one

5-(dimethylamino)-2-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one (PubChem CID 45245591) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
PubChem CID45245591
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name5-(dimethylamino)-2-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESCOc1ccccc1C1CCCN1C(=O)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C19H24N4O3/c1-21(2)14-11-18(24)23(20-12-14)13-19(25)22-10-6-8-16(22)15-7-4-5-9-17(15)26-3/h4-5,7,9,11-12,16H,6,8,10,13H2,1-3H3
InChIKeyLUPBLHMWTXATKL-UHFFFAOYSA-N
XLogP1.68
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 176997579
5-(dimethylamino)-2-[2-[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 97277231
1-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 72837856
1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone
CID 83625391
4-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-one
CID 120562159
5-(dimethylamino)-2-[2-oxo-2-[(2S)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 97286609
2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide
CID 97277107
1-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 125156811
1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 118763003
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 99937273
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 118787227
3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119951145

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one (CID 45245591) is 5-(dimethylamino)-2-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one is COc1ccccc1C1CCCN1C(=O)Cn1ncc(N(C)C)cc1=O.
What is the InChIKey of 5-(dimethylamino)-2-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The InChIKey is LUPBLHMWTXATKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-21(2)14-11-18(24)23(20-12-14)13-19(25)22-10-6-8-16(22)15-7-4-5-9-17(15)26-3/h4-5,7,9,11-12,16H,6,8,10,13H2,1-3H3.
What are the key properties of 5-(dimethylamino)-2-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one?
5-(dimethylamino)-2-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one has a molecular weight of 356.43 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 45245591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).