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

C27H29N3O3 — CID 150051227

IUPAC2-(3,4-dimethoxyphenyl)-3-ethyl-N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-5-carboxamide
SMILESCCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccc(C(=O)N(C)CCc3ccccn3)cc12
InChIInChI=1S/C27H29N3O3/c1-5-21-22-16-19(27(31)30(2)15-13-20-8-6-7-14-28-20)9-11-23(22)29-26(21)18-10-12-24(32-3)25(17-18)33-4/h6-12,14,16-17,29H,5,13,15H2,1-4H3
InChIKeyDLJCKUBQILHYOG-UHFFFAOYSA-N
MW443.55 g/mol
LogP5.12
Rot. Bonds8

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

2-(3,4-dimethoxyphenyl)-3-ethyl-N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-5-carboxamide (PubChem CID 150051227) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-3-ethyl-N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-3-ethyl-N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-5-carboxamide
PubChem CID150051227
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC Name2-(3,4-dimethoxyphenyl)-3-ethyl-N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-5-carboxamide
SMILESCCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccc(C(=O)N(C)CCc3ccccn3)cc12
InChIInChI=1S/C27H29N3O3/c1-5-21-22-16-19(27(31)30(2)15-13-20-8-6-7-14-28-20)9-11-23(22)29-26(21)18-10-12-24(32-3)25(17-18)33-4/h6-12,14,16-17,29H,5,13,15H2,1-4H3
InChIKeyDLJCKUBQILHYOG-UHFFFAOYSA-N
XLogP5.12
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 55.12
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-(2-pyridin-2-ylethyl)-1H-indole-5-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-3-ethyl-N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-5-carboxamide (CID 150051227) is 2-(3,4-dimethoxyphenyl)-3-ethyl-N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-5-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-3-ethyl-N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-5-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-3-ethyl-N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-5-carboxamide is CCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccc(C(=O)N(C)CCc3ccccn3)cc12.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-3-ethyl-N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-5-carboxamide?
The InChIKey is DLJCKUBQILHYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-5-21-22-16-19(27(31)30(2)15-13-20-8-6-7-14-28-20)9-11-23(22)29-26(21)18-10-12-24(32-3)25(17-18)33-4/h6-12,14,16-17,29H,5,13,15H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-3-ethyl-N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-5-carboxamide?
2-(3,4-dimethoxyphenyl)-3-ethyl-N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-5-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 5.12, 8 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-(2-pyridin-2-ylethyl)-1H-indole-5-carboxamide is sourced from PubChem (CID 150051227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).