N-(3-Methylpyridin-2-YL)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-YL)-3-(3,4,5-trimethoxyphenyl)propanamide

C26H27N3O5 — CID 16022256

IUPACN-(3-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCC1=C(N=CC=C1)NC(=O)CC(C2=CC(=C(C(=C2)OC)OC)OC)N3CC4=CC=CC=C4C3=O
InChIInChI=1S/C26H27N3O5/c1-16-8-7-11-27-25(16)28-23(30)14-20(29-15-17-9-5-6-10-19(17)26(29)31)18-12-21(32-2)24(34-4)22(13-18)33-3/h5-13,20H,14-15H2,1-4H3,(H,27,28,30)
InChIKeyUCFHDCHPXHODKG-UHFFFAOYSA-N
MW461.50 g/mol
LogP2.80
Rot. Bonds8

About N-(3-Methylpyridin-2-YL)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-YL)-3-(3,4,5-trimethoxyphenyl)propanamide

N-(3-Methylpyridin-2-YL)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-YL)-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 16022256) has the molecular formula C26H27N3O5 and a molecular weight of 461.50 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(3-Methylpyridin-2-YL)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-YL)-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID16022256
Molecular FormulaC26H27N3O5
Molecular Weight461.50 g/mol
Exact Mass461.20
IUPAC NameN-(3-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCC1=C(N=CC=C1)NC(=O)CC(C2=CC(=C(C(=C2)OC)OC)OC)N3CC4=CC=CC=C4C3=O
InChIInChI=1S/C26H27N3O5/c1-16-8-7-11-27-25(16)28-23(30)14-20(29-15-17-9-5-6-10-19(17)26(29)31)18-12-21(32-2)24(34-4)22(13-18)33-3/h5-13,20H,14-15H2,1-4H3,(H,27,28,30)
InChIKeyUCFHDCHPXHODKG-UHFFFAOYSA-N
XLogP2.80
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity692

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ketone, 4-(2-pyridyl)piperazinyl 3,4,5-trimethoxyphenyl
CID 28761
N-(3-{Imidazo[1,2-A]pyrimidin-2-YL}phenyl)-3,4,5-trimethoxybenzamide
CID 5304380
4-(propan-2-yloxy)-N-(pyridin-2-yl)-N-(3,4,5-trimethoxybenzyl)benzamide
CID 16015944
3,4,5-Trimethoxy-N-[2-[(2-pyridinylamino)carbonyl]phenyl]benzamide
CID 990988
6,7-Dimethoxy-2-(2-pyridyl)isoindolin-1-one
CID 659311
3,4,5-trimethoxy-N-(3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl)benzamide
CID 983446
3,4,5-trimethoxy-N-(3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl)benzamide
CID 1084380
3-(4-methoxyphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-pyridin-2-ylpropanamide
CID 24761480
(R)-5-(4-(2-aminopyridin-4-yl)phenyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 49865046
3-[(4-Methoxyphenyl)amino]-2-pyridin-2-ylisoindolin-1-one
CID 16194350
3,4,5-trimethoxy-N-(pyridin-2-yl)benzamide
CID 659323
(5R)-5-[2-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 58042143

Frequently Asked Questions

What is the IUPAC name of N-(3-Methylpyridin-2-YL)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-YL)-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-(3-Methylpyridin-2-YL)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-YL)-3-(3,4,5-trimethoxyphenyl)propanamide (CID 16022256) is N-(3-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-(3-Methylpyridin-2-YL)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-YL)-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-(3-Methylpyridin-2-YL)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-YL)-3-(3,4,5-trimethoxyphenyl)propanamide is CC1=C(N=CC=C1)NC(=O)CC(C2=CC(=C(C(=C2)OC)OC)OC)N3CC4=CC=CC=C4C3=O.
What is the InChIKey of N-(3-Methylpyridin-2-YL)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-YL)-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is UCFHDCHPXHODKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5/c1-16-8-7-11-27-25(16)28-23(30)14-20(29-15-17-9-5-6-10-19(17)26(29)31)18-12-21(32-2)24(34-4)22(13-18)33-3/h5-13,20H,14-15H2,1-4H3,(H,27,28,30).
What are the key properties of N-(3-Methylpyridin-2-YL)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-YL)-3-(3,4,5-trimethoxyphenyl)propanamide?
N-(3-Methylpyridin-2-YL)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-YL)-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 461.50 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-Methylpyridin-2-YL)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-YL)-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 16022256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).