3-[2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]propanamide

C22H27N3O3 — CID 126464702

IUPAC3-[2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]propanamide
SMILESCOc1ccc(CC2(CCC(=O)NCc3cccc(C)n3)CCC(=O)N2)cc1
InChIInChI=1S/C22H27N3O3/c1-16-4-3-5-18(24-16)15-23-20(26)10-12-22(13-11-21(27)25-22)14-17-6-8-19(28-2)9-7-17/h3-9H,10-15H2,1-2H3,(H,23,26)(H,25,27)
InChIKeyHKGCOZGZNGHOHZ-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.69
Rot. Bonds8

About 3-[2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]propanamide

3-[2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]propanamide (PubChem CID 126464702) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-[2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-[2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]propanamide
PubChem CID126464702
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name3-[2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]propanamide
SMILESCOc1ccc(CC2(CCC(=O)NCc3cccc(C)n3)CCC(=O)N2)cc1
InChIInChI=1S/C22H27N3O3/c1-16-4-3-5-18(24-16)15-23-20(26)10-12-22(13-11-21(27)25-22)14-17-6-8-19(28-2)9-7-17/h3-9H,10-15H2,1-2H3,(H,23,26)(H,25,27)
InChIKeyHKGCOZGZNGHOHZ-UHFFFAOYSA-N
XLogP2.69
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pioglitazone
CID 4829
2-(4-methoxyphenyl)-N-(pyridin-3-yl)acetamide
CID 799060
3-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 118498201
(3S)-3-[(1R)-1-[4-[2-[(2,6-dimethyl-4-pyridinyl)oxy]ethyl]phenyl]ethyl]-3-methylpyrrolidine-2,5-dione
CID 142474474
Pioglitazone, (S)-
CID 29010893
N-(4-methoxybenzyl)-N'-(pyridin-3-yl)butanediamide
CID 5237831
N-(4-methoxybenzyl)-3-phenyl-2-(1H-pyrrol-1-yl)propanamide
CID 16194135
4-(aminomethyl)-N-[1-(6-methoxy-4-phenyl-2-pyridinyl)-2-phenylethyl]cyclohexane-1-carboxamide
CID 11683709
5-(4-Methoxy-phenyl)-hepta-2,4-dienoic acid (1-methyl-4-pyridin-3-yl-butyl)-amide
CID 14347407
4-[2-(4-Methoxyphenyl)phenyl]-N-(2-pyridinylmethyl)-1-piperazinehexanamide
CID 71062035
2-[4-(4-fluorophenoxy)phenyl]-6-methyl-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyridine-4-carboxamide
CID 71566103
Deuteropioglitazone, (5R)-
CID 49835993

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]propanamide?
The IUPAC name of 3-[2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]propanamide (CID 126464702) is 3-[2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-[2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-[2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]propanamide is COc1ccc(CC2(CCC(=O)NCc3cccc(C)n3)CCC(=O)N2)cc1.
What is the InChIKey of 3-[2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]propanamide?
The InChIKey is HKGCOZGZNGHOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16-4-3-5-18(24-16)15-23-20(26)10-12-22(13-11-21(27)25-22)14-17-6-8-19(28-2)9-7-17/h3-9H,10-15H2,1-2H3,(H,23,26)(H,25,27).
What are the key properties of 3-[2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]propanamide?
3-[2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]propanamide has a molecular weight of 381.48 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]propanamide is sourced from PubChem (CID 126464702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).