2-(3,4-dimethoxyphenyl)-3-ethyl-N-(2-pyridin-4-ylethyl)-1H-indole-5-carboxamide

C26H27N3O3 — CID 154641078

IUPAC2-(3,4-dimethoxyphenyl)-3-ethyl-N-(2-pyridin-4-ylethyl)-1H-indole-5-carboxamide
SMILESCCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccc(C(=O)NCCc3ccncc3)cc12
InChIInChI=1S/C26H27N3O3/c1-4-20-21-15-19(26(30)28-14-11-17-9-12-27-13-10-17)5-7-22(21)29-25(20)18-6-8-23(31-2)24(16-18)32-3/h5-10,12-13,15-16,29H,4,11,14H2,1-3H3,(H,28,30)
InChIKeyQMMFLSCWJMSUPA-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.78
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-3-ethyl-N-(2-pyridin-4-ylethyl)-1H-indole-5-carboxamide

2-(3,4-dimethoxyphenyl)-3-ethyl-N-(2-pyridin-4-ylethyl)-1H-indole-5-carboxamide (PubChem CID 154641078) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-3-ethyl-N-(2-pyridin-4-ylethyl)-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-3-ethyl-N-(2-pyridin-4-ylethyl)-1H-indole-5-carboxamide
PubChem CID154641078
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name2-(3,4-dimethoxyphenyl)-3-ethyl-N-(2-pyridin-4-ylethyl)-1H-indole-5-carboxamide
SMILESCCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccc(C(=O)NCCc3ccncc3)cc12
InChIInChI=1S/C26H27N3O3/c1-4-20-21-15-19(26(30)28-14-11-17-9-12-27-13-10-17)5-7-22(21)29-25(20)18-6-8-23(31-2)24(16-18)32-3/h5-10,12-13,15-16,29H,4,11,14H2,1-3H3,(H,28,30)
InChIKeyQMMFLSCWJMSUPA-UHFFFAOYSA-N
XLogP4.78
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-3-ethyl-N-(2-pyridin-4-ylethyl)-1H-indole-5-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-3-ethyl-N-(2-pyridin-4-ylethyl)-1H-indole-5-carboxamide (CID 154641078) is 2-(3,4-dimethoxyphenyl)-3-ethyl-N-(2-pyridin-4-ylethyl)-1H-indole-5-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-3-ethyl-N-(2-pyridin-4-ylethyl)-1H-indole-5-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-3-ethyl-N-(2-pyridin-4-ylethyl)-1H-indole-5-carboxamide is CCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccc(C(=O)NCCc3ccncc3)cc12.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-3-ethyl-N-(2-pyridin-4-ylethyl)-1H-indole-5-carboxamide?
The InChIKey is QMMFLSCWJMSUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-4-20-21-15-19(26(30)28-14-11-17-9-12-27-13-10-17)5-7-22(21)29-25(20)18-6-8-23(31-2)24(16-18)32-3/h5-10,12-13,15-16,29H,4,11,14H2,1-3H3,(H,28,30).
What are the key properties of 2-(3,4-dimethoxyphenyl)-3-ethyl-N-(2-pyridin-4-ylethyl)-1H-indole-5-carboxamide?
2-(3,4-dimethoxyphenyl)-3-ethyl-N-(2-pyridin-4-ylethyl)-1H-indole-5-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 4.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-3-ethyl-N-(2-pyridin-4-ylethyl)-1H-indole-5-carboxamide is sourced from PubChem (CID 154641078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).