N-(5-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide

C26H27N3O5 — CID 24761565

IUPACN-(5-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(C(CC(=O)Nc2ccc(C)cn2)N2Cc3ccccc3C2=O)cc(OC)c1OC
InChIInChI=1S/C26H27N3O5/c1-16-9-10-23(27-14-16)28-24(30)13-20(29-15-17-7-5-6-8-19(17)26(29)31)18-11-21(32-2)25(34-4)22(12-18)33-3/h5-12,14,20H,13,15H2,1-4H3,(H,27,28,30)
InChIKeyCYEJTXYXGQXFTD-UHFFFAOYSA-N
MW461.52 g/mol
LogP4.14
Rot. Bonds8

About N-(5-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide

N-(5-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 24761565) has the molecular formula C26H27N3O5 and a molecular weight of 461.52 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID24761565
Molecular FormulaC26H27N3O5
Molecular Weight461.52 g/mol
Exact Mass461.20
IUPAC NameN-(5-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(C(CC(=O)Nc2ccc(C)cn2)N2Cc3ccccc3C2=O)cc(OC)c1OC
InChIInChI=1S/C26H27N3O5/c1-16-9-10-23(27-14-16)28-24(30)13-20(29-15-17-7-5-6-8-19(17)26(29)31)18-11-21(32-2)25(34-4)22(12-18)33-3/h5-12,14,20H,13,15H2,1-4H3,(H,27,28,30)
InChIKeyCYEJTXYXGQXFTD-UHFFFAOYSA-N
XLogP4.14
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 54.14
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-(5-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide (CID 24761565) is N-(5-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(C(CC(=O)Nc2ccc(C)cn2)N2Cc3ccccc3C2=O)cc(OC)c1OC.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is CYEJTXYXGQXFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5/c1-16-9-10-23(27-14-16)28-24(30)13-20(29-15-17-7-5-6-8-19(17)26(29)31)18-11-21(32-2)25(34-4)22(12-18)33-3/h5-12,14,20H,13,15H2,1-4H3,(H,27,28,30).
What are the key properties of N-(5-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
N-(5-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 461.52 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 24761565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).