1-[(2,4-dimethoxyphenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

C21H25N3O4 — CID 3236022

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(CN2C(=O)CCC2(C)C(=O)NCc2cccnc2)c(OC)c1
InChIInChI=1S/C21H25N3O4/c1-21(20(26)23-13-15-5-4-10-22-12-15)9-8-19(25)24(21)14-16-6-7-17(27-2)11-18(16)28-3/h4-7,10-12H,8-9,13-14H2,1-3H3,(H,23,26)
InChIKeyUQWQBROATBMHBM-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.30
Rot. Bonds7

About 1-[(2,4-dimethoxyphenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

1-[(2,4-dimethoxyphenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 3236022) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID3236022
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(CN2C(=O)CCC2(C)C(=O)NCc2cccnc2)c(OC)c1
InChIInChI=1S/C21H25N3O4/c1-21(20(26)23-13-15-5-4-10-22-12-15)9-8-19(25)24(21)14-16-6-7-17(27-2)11-18(16)28-3/h4-7,10-12H,8-9,13-14H2,1-3H3,(H,23,26)
InChIKeyUQWQBROATBMHBM-UHFFFAOYSA-N
XLogP2.30
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N1-(2,4-Dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl)oxalamide
CID 11739408
N-(4-methoxybenzyl)-N'-(pyridin-3-ylmethyl)ethanediamide
CID 3113974
5R-ethyl-3-[6-(3-methoxy-4-methylphenoxy)-3-pyridinyl]-2,4-imidazolidinedione
CID 53230344
N-(3,5-dimethoxyphenyl)-3-phenyl-2-(1H-pyrrol-1-yl)propanamide
CID 6619890
(E)-N-(2-(2-(1-(2,4-dimethoxyphenyl)ethylidene)hydrazinyl)-2-oxoethyl)nicotinamide
CID 9624876
N-(4-methoxybenzyl)-3-phenyl-2-(1H-pyrrol-1-yl)propanamide
CID 16194135
(2,4-Dimethoxy-benzyl)-pyridin-4-ylmethyl-amine hydrochloride
CID 24746804
1-(2-methoxybenzyl)-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)prolinamide
CID 3243598
N-[(2-methoxyphenyl)methyl]-2-pyrrol-1-ylacetamide
CID 6623074
N-(3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-(1H-pyrrol-1-yl)propanamide
CID 6623491
2'-[(2,4-Dimethoxyphenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone
CID 10691361
2-[1-(3,5-dimethoxybenzyl)-3-oxopiperazin-2-yl]-N-[2-(3-methylpyridin-2-yl)ethyl]acetamide
CID 16190341

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (CID 3236022) is 1-[(2,4-dimethoxyphenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is COc1ccc(CN2C(=O)CCC2(C)C(=O)NCc2cccnc2)c(OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is UQWQBROATBMHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-21(20(26)23-13-15-5-4-10-22-12-15)9-8-19(25)24(21)14-16-6-7-17(27-2)11-18(16)28-3/h4-7,10-12H,8-9,13-14H2,1-3H3,(H,23,26).
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
1-[(2,4-dimethoxyphenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 3236022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).