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

C25H24ClN3O5 — CID 24761533

IUPACN-(5-chloro-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(C(CC(=O)Nc2ccc(Cl)cn2)N2Cc3ccccc3C2=O)cc(OC)c1OC
InChIInChI=1S/C25H24ClN3O5/c1-32-20-10-16(11-21(33-2)24(20)34-3)19(12-23(30)28-22-9-8-17(26)13-27-22)29-14-15-6-4-5-7-18(15)25(29)31/h4-11,13,19H,12,14H2,1-3H3,(H,27,28,30)
InChIKeyPQFKHILISYWWMV-UHFFFAOYSA-N
MW481.94 g/mol
LogP4.49
Rot. Bonds8

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

N-(5-chloro-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 24761533) has the molecular formula C25H24ClN3O5 and a molecular weight of 481.94 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID24761533
Molecular FormulaC25H24ClN3O5
Molecular Weight481.94 g/mol
Exact Mass481.14
IUPAC NameN-(5-chloro-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(C(CC(=O)Nc2ccc(Cl)cn2)N2Cc3ccccc3C2=O)cc(OC)c1OC
InChIInChI=1S/C25H24ClN3O5/c1-32-20-10-16(11-21(33-2)24(20)34-3)19(12-23(30)28-22-9-8-17(26)13-27-22)29-14-15-6-4-5-7-18(15)25(29)31/h4-11,13,19H,12,14H2,1-3H3,(H,27,28,30)
InChIKeyPQFKHILISYWWMV-UHFFFAOYSA-N
XLogP4.49
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.94
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide (CID 24761533) is N-(5-chloro-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(C(CC(=O)Nc2ccc(Cl)cn2)N2Cc3ccccc3C2=O)cc(OC)c1OC.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is PQFKHILISYWWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O5/c1-32-20-10-16(11-21(33-2)24(20)34-3)19(12-23(30)28-22-9-8-17(26)13-27-22)29-14-15-6-4-5-7-18(15)25(29)31/h4-11,13,19H,12,14H2,1-3H3,(H,27,28,30).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
N-(5-chloro-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 481.94 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 24761533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).