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

C24H23N3O4 — CID 5308839

IUPAC2-[(2,5-dimethoxyphenyl)methyl]-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-1-carboxamide
SMILESCOc1ccc(OC)c(CN2C(=O)c3ccccc3C2C(=O)NCc2cccnc2)c1
InChIInChI=1S/C24H23N3O4/c1-30-18-9-10-21(31-2)17(12-18)15-27-22(19-7-3-4-8-20(19)24(27)29)23(28)26-14-16-6-5-11-25-13-16/h3-13,22H,14-15H2,1-2H3,(H,26,28)
InChIKeyPZZWQLAGGIQWOT-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.11
Rot. Bonds7

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

2-[(2,5-dimethoxyphenyl)methyl]-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-1-carboxamide (PubChem CID 5308839) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 2-[(2,5-dimethoxyphenyl)methyl]-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-1-carboxamide.

Molecular Properties

Compound Name2-[(2,5-dimethoxyphenyl)methyl]-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-1-carboxamide
PubChem CID5308839
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name2-[(2,5-dimethoxyphenyl)methyl]-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-1-carboxamide
SMILESCOc1ccc(OC)c(CN2C(=O)c3ccccc3C2C(=O)NCc2cccnc2)c1
InChIInChI=1S/C24H23N3O4/c1-30-18-9-10-21(31-2)17(12-18)15-27-22(19-7-3-4-8-20(19)24(27)29)23(28)26-14-16-6-5-11-25-13-16/h3-13,22H,14-15H2,1-2H3,(H,26,28)
InChIKeyPZZWQLAGGIQWOT-UHFFFAOYSA-N
XLogP3.11
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2,5-dimethoxyphenyl)methyl]-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(4-(pyridin-3-yl)phenyl)imidazolidine-2,4-dione
CID 46934000
(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(4-(pyridin-4-yl)phenyl)imidazolidine-2,4-dione
CID 49865045
ROCK inhibitor-2
CID 51003130
3-[3-oxo-7-[[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 67334013
5-[4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 156015744
N-[2-[(2S)-2-[2-[(3-methoxyphenyl)methylamino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 164616722
N-(3-methoxybenzyl)-3-phenyl-2-(1H-pyrrol-1-yl)propanamide
CID 6623034
3-[(4-Methoxyphenyl)amino]-2-pyridin-3-ylisoindolin-1-one
CID 16194375
N-(4-ethoxyphenyl)-3-oxo-2-(pyridin-3-ylmethyl)isoindoline-4-carboxamide
CID 3238619
ethyl 3-(4-isopropoxyphenyl)-3-({[3-oxo-2-(pyridin-3-ylmethyl)-2,3-dihydro-1H-isoindol-4-yl]carbonyl}amino)propanoate
CID 16193683
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(6-methoxypyridin-3-yl)benzamide
CID 2092122
3-oxo-2-(1-pyridin-2-ylpropan-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
CID 44476261

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxyphenyl)methyl]-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-1-carboxamide?
The IUPAC name of 2-[(2,5-dimethoxyphenyl)methyl]-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-1-carboxamide (CID 5308839) is 2-[(2,5-dimethoxyphenyl)methyl]-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-1-carboxamide.
What is the SMILES notation for 2-[(2,5-dimethoxyphenyl)methyl]-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-1-carboxamide?
The canonical SMILES for 2-[(2,5-dimethoxyphenyl)methyl]-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-1-carboxamide is COc1ccc(OC)c(CN2C(=O)c3ccccc3C2C(=O)NCc2cccnc2)c1.
What is the InChIKey of 2-[(2,5-dimethoxyphenyl)methyl]-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-1-carboxamide?
The InChIKey is PZZWQLAGGIQWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-30-18-9-10-21(31-2)17(12-18)15-27-22(19-7-3-4-8-20(19)24(27)29)23(28)26-14-16-6-5-11-25-13-16/h3-13,22H,14-15H2,1-2H3,(H,26,28).
What are the key properties of 2-[(2,5-dimethoxyphenyl)methyl]-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-1-carboxamide?
2-[(2,5-dimethoxyphenyl)methyl]-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-1-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxyphenyl)methyl]-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-1-carboxamide is sourced from PubChem (CID 5308839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).