6-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-4-(3-methylmorpholin-4-yl)-1H-pyridin-2-one

C22H30N4O2 — CID 130359961

IUPAC6-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-4-(3-methylmorpholin-4-yl)-1H-pyridin-2-one
SMILESCC1COCCN1c1cc(N2CCCC2c2cccc(N(C)C)c2)[nH]c(=O)c1
InChIInChI=1S/C22H30N4O2/c1-16-15-28-11-10-25(16)19-13-21(23-22(27)14-19)26-9-5-8-20(26)17-6-4-7-18(12-17)24(2)3/h4,6-7,12-14,16,20H,5,8-11,15H2,1-3H3,(H,23,27)
InChIKeyWUPGYACORAXQIZ-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.01
Rot. Bonds4

About 6-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-4-(3-methylmorpholin-4-yl)-1H-pyridin-2-one

6-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-4-(3-methylmorpholin-4-yl)-1H-pyridin-2-one (PubChem CID 130359961) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 6-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-4-(3-methylmorpholin-4-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-4-(3-methylmorpholin-4-yl)-1H-pyridin-2-one
PubChem CID130359961
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name6-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-4-(3-methylmorpholin-4-yl)-1H-pyridin-2-one
SMILESCC1COCCN1c1cc(N2CCCC2c2cccc(N(C)C)c2)[nH]c(=O)c1
InChIInChI=1S/C22H30N4O2/c1-16-15-28-11-10-25(16)19-13-21(23-22(27)14-19)26-9-5-8-20(26)17-6-4-7-18(12-17)24(2)3/h4,6-7,12-14,16,20H,5,8-11,15H2,1-3H3,(H,23,27)
InChIKeyWUPGYACORAXQIZ-UHFFFAOYSA-N
XLogP3.01
TPSA51.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-4-(3-methylmorpholin-4-yl)-1H-pyridin-2-one?
The IUPAC name of 6-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-4-(3-methylmorpholin-4-yl)-1H-pyridin-2-one (CID 130359961) is 6-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-4-(3-methylmorpholin-4-yl)-1H-pyridin-2-one.
What is the SMILES notation for 6-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-4-(3-methylmorpholin-4-yl)-1H-pyridin-2-one?
The canonical SMILES for 6-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-4-(3-methylmorpholin-4-yl)-1H-pyridin-2-one is CC1COCCN1c1cc(N2CCCC2c2cccc(N(C)C)c2)[nH]c(=O)c1.
What is the InChIKey of 6-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-4-(3-methylmorpholin-4-yl)-1H-pyridin-2-one?
The InChIKey is WUPGYACORAXQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-16-15-28-11-10-25(16)19-13-21(23-22(27)14-19)26-9-5-8-20(26)17-6-4-7-18(12-17)24(2)3/h4,6-7,12-14,16,20H,5,8-11,15H2,1-3H3,(H,23,27).
What are the key properties of 6-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-4-(3-methylmorpholin-4-yl)-1H-pyridin-2-one?
6-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-4-(3-methylmorpholin-4-yl)-1H-pyridin-2-one has a molecular weight of 382.51 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-4-(3-methylmorpholin-4-yl)-1H-pyridin-2-one is sourced from PubChem (CID 130359961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).