1-[2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylamino]-2-phenylethyl]pyrrolidin-2-one

C22H30N4O2 — CID 119047897

IUPAC1-[2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylamino]-2-phenylethyl]pyrrolidin-2-one
SMILESCOCCN(C)c1ccc(CNC(CN2CCCC2=O)c2ccccc2)cn1
InChIInChI=1S/C22H30N4O2/c1-25(13-14-28-2)21-11-10-18(16-24-21)15-23-20(19-7-4-3-5-8-19)17-26-12-6-9-22(26)27/h3-5,7-8,10-11,16,20,23H,6,9,12-15,17H2,1-2H3
InChIKeyDNFQILXJUIVHIV-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.62
Rot. Bonds10

About 1-[2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylamino]-2-phenylethyl]pyrrolidin-2-one

1-[2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylamino]-2-phenylethyl]pyrrolidin-2-one (PubChem CID 119047897) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-[2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylamino]-2-phenylethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylamino]-2-phenylethyl]pyrrolidin-2-one
PubChem CID119047897
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name1-[2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylamino]-2-phenylethyl]pyrrolidin-2-one
SMILESCOCCN(C)c1ccc(CNC(CN2CCCC2=O)c2ccccc2)cn1
InChIInChI=1S/C22H30N4O2/c1-25(13-14-28-2)21-11-10-18(16-24-21)15-23-20(19-7-4-3-5-8-19)17-26-12-6-9-22(26)27/h3-5,7-8,10-11,16,20,23H,6,9,12-15,17H2,1-2H3
InChIKeyDNFQILXJUIVHIV-UHFFFAOYSA-N
XLogP2.62
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylamino]-2-phenylethyl]pyrrolidin-2-one with MolForge

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Related Compounds

N-(2-methoxyethyl)-N-methyl-5-[[[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]amino]methyl]pyridin-2-amine
CID 124726400
N-(2-methoxyethyl)-N-methyl-5-[[[(2R)-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]methyl]pyridin-2-amine
CID 124847594
1-[(2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one
CID 94154287
5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 119047908
N-(2-methoxyethyl)-N-methyl-5-[[[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]methyl]pyridin-2-amine
CID 124729154
1-[(2R)-2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one
CID 94181805
1-[(2R)-2-phenyl-2-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]azepan-2-one
CID 52908937
2-methoxy-N-[(1S)-2-(2-oxoazepan-1-yl)-1-phenylethyl]acetamide
CID 94799256
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 80638766
1-[2-(1,3-benzodioxol-4-ylmethylamino)-2-phenylethyl]pyrrolidin-2-one;hydrochloride
CID 56809194
N-methyl-N-(2-phenylethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 65488451
1-[(2R)-2-[(4-bromothiophen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one
CID 94154273

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylamino]-2-phenylethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylamino]-2-phenylethyl]pyrrolidin-2-one (CID 119047897) is 1-[2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylamino]-2-phenylethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylamino]-2-phenylethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylamino]-2-phenylethyl]pyrrolidin-2-one is COCCN(C)c1ccc(CNC(CN2CCCC2=O)c2ccccc2)cn1.
What is the InChIKey of 1-[2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylamino]-2-phenylethyl]pyrrolidin-2-one?
The InChIKey is DNFQILXJUIVHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-25(13-14-28-2)21-11-10-18(16-24-21)15-23-20(19-7-4-3-5-8-19)17-26-12-6-9-22(26)27/h3-5,7-8,10-11,16,20,23H,6,9,12-15,17H2,1-2H3.
What are the key properties of 1-[2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylamino]-2-phenylethyl]pyrrolidin-2-one?
1-[2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylamino]-2-phenylethyl]pyrrolidin-2-one has a molecular weight of 382.51 g/mol, XLogP of 2.62, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylamino]-2-phenylethyl]pyrrolidin-2-one is sourced from PubChem (CID 119047897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).