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

C26H27N3O3 — CID 150113431

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(3,4-dimethoxyphenyl)-3-ethyl-N-methyl-N-(pyridin-3-ylmethyl)-1H-indole-5-carboxamide
SMILESCCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccc(C(=O)N(C)Cc3cccnc3)cc12
InChIInChI=1S/C26H27N3O3/c1-5-20-21-13-19(26(30)29(2)16-17-7-6-12-27-15-17)8-10-22(21)28-25(20)18-9-11-23(31-3)24(14-18)32-4/h6-15,28H,5,16H2,1-4H3
InChIKeyDXTCRJFCAVBVQY-UHFFFAOYSA-N
MW429.52 g/mol
LogP5.08
Rot. Bonds7

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

2-(3,4-dimethoxyphenyl)-3-ethyl-N-methyl-N-(pyridin-3-ylmethyl)-1H-indole-5-carboxamide (PubChem CID 150113431) 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-methyl-N-(pyridin-3-ylmethyl)-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-3-ethyl-N-methyl-N-(pyridin-3-ylmethyl)-1H-indole-5-carboxamide
PubChem CID150113431
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name2-(3,4-dimethoxyphenyl)-3-ethyl-N-methyl-N-(pyridin-3-ylmethyl)-1H-indole-5-carboxamide
SMILESCCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccc(C(=O)N(C)Cc3cccnc3)cc12
InChIInChI=1S/C26H27N3O3/c1-5-20-21-13-19(26(30)29(2)16-17-7-6-12-27-15-17)8-10-22(21)28-25(20)18-9-11-23(31-3)24(14-18)32-4/h6-15,28H,5,16H2,1-4H3
InChIKeyDXTCRJFCAVBVQY-UHFFFAOYSA-N
XLogP5.08
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-3-ethyl-N-methyl-N-(pyridin-3-ylmethyl)-1H-indole-5-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-3-ethyl-N-methyl-N-(pyridin-3-ylmethyl)-1H-indole-5-carboxamide (CID 150113431) is 2-(3,4-dimethoxyphenyl)-3-ethyl-N-methyl-N-(pyridin-3-ylmethyl)-1H-indole-5-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-3-ethyl-N-methyl-N-(pyridin-3-ylmethyl)-1H-indole-5-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-3-ethyl-N-methyl-N-(pyridin-3-ylmethyl)-1H-indole-5-carboxamide is CCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccc(C(=O)N(C)Cc3cccnc3)cc12.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-3-ethyl-N-methyl-N-(pyridin-3-ylmethyl)-1H-indole-5-carboxamide?
The InChIKey is DXTCRJFCAVBVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-5-20-21-13-19(26(30)29(2)16-17-7-6-12-27-15-17)8-10-22(21)28-25(20)18-9-11-23(31-3)24(14-18)32-4/h6-15,28H,5,16H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-3-ethyl-N-methyl-N-(pyridin-3-ylmethyl)-1H-indole-5-carboxamide?
2-(3,4-dimethoxyphenyl)-3-ethyl-N-methyl-N-(pyridin-3-ylmethyl)-1H-indole-5-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-3-ethyl-N-methyl-N-(pyridin-3-ylmethyl)-1H-indole-5-carboxamide is sourced from PubChem (CID 150113431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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