N-(6-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide

C26H27N3O5 — CID 24761579

IUPACN-(6-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(C(CC(=O)Nc2cccc(C)n2)N2Cc3ccccc3C2=O)cc(OC)c1OC
InChIInChI=1S/C26H27N3O5/c1-16-8-7-11-23(27-16)28-24(30)14-20(29-15-17-9-5-6-10-19(17)26(29)31)18-12-21(32-2)25(34-4)22(13-18)33-3/h5-13,20H,14-15H2,1-4H3,(H,27,28,30)
InChIKeyBXKIVTINPIYLNI-UHFFFAOYSA-N
MW461.52 g/mol
LogP4.14
Rot. Bonds8

About N-(6-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide

N-(6-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 24761579) has the molecular formula C26H27N3O5 and a molecular weight of 461.52 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID24761579
Molecular FormulaC26H27N3O5
Molecular Weight461.52 g/mol
Exact Mass461.20
IUPAC NameN-(6-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(C(CC(=O)Nc2cccc(C)n2)N2Cc3ccccc3C2=O)cc(OC)c1OC
InChIInChI=1S/C26H27N3O5/c1-16-8-7-11-23(27-16)28-24(30)14-20(29-15-17-9-5-6-10-19(17)26(29)31)18-12-21(32-2)25(34-4)22(13-18)33-3/h5-13,20H,14-15H2,1-4H3,(H,27,28,30)
InChIKeyBXKIVTINPIYLNI-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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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide (CID 24761579) is N-(6-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(C(CC(=O)Nc2cccc(C)n2)N2Cc3ccccc3C2=O)cc(OC)c1OC.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is BXKIVTINPIYLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5/c1-16-8-7-11-23(27-16)28-24(30)14-20(29-15-17-9-5-6-10-19(17)26(29)31)18-12-21(32-2)25(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-(6-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
N-(6-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-(6-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 24761579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).