5-methyl-2-[2-(methylamino)ethyl]-1-[2-(6-methyl-3-pyridinyl)ethyl]indole-3-carbaldehyde

C21H25N3O — CID 89194137

IUPAC5-methyl-2-[2-(methylamino)ethyl]-1-[2-(6-methyl-3-pyridinyl)ethyl]indole-3-carbaldehyde
SMILESCNCCc1c(C=O)c2cc(C)ccc2n1CCc1ccc(C)nc1
InChIInChI=1S/C21H25N3O/c1-15-4-7-20-18(12-15)19(14-25)21(8-10-22-3)24(20)11-9-17-6-5-16(2)23-13-17/h4-7,12-14,22H,8-11H2,1-3H3
InChIKeyUYDJYLYRXHPKHE-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.47
Rot. Bonds7

About 5-methyl-2-[2-(methylamino)ethyl]-1-[2-(6-methyl-3-pyridinyl)ethyl]indole-3-carbaldehyde

5-methyl-2-[2-(methylamino)ethyl]-1-[2-(6-methyl-3-pyridinyl)ethyl]indole-3-carbaldehyde (PubChem CID 89194137) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 5-methyl-2-[2-(methylamino)ethyl]-1-[2-(6-methyl-3-pyridinyl)ethyl]indole-3-carbaldehyde.

Molecular Properties

Compound Name5-methyl-2-[2-(methylamino)ethyl]-1-[2-(6-methyl-3-pyridinyl)ethyl]indole-3-carbaldehyde
PubChem CID89194137
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name5-methyl-2-[2-(methylamino)ethyl]-1-[2-(6-methyl-3-pyridinyl)ethyl]indole-3-carbaldehyde
SMILESCNCCc1c(C=O)c2cc(C)ccc2n1CCc1ccc(C)nc1
InChIInChI=1S/C21H25N3O/c1-15-4-7-20-18(12-15)19(14-25)21(8-10-22-3)24(20)11-9-17-6-5-16(2)23-13-17/h4-7,12-14,22H,8-11H2,1-3H3
InChIKeyUYDJYLYRXHPKHE-UHFFFAOYSA-N
XLogP3.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-(methylamino)ethyl]-1-[2-(6-methyl-3-pyridinyl)ethyl]indole-3-carbaldehyde?
The IUPAC name of 5-methyl-2-[2-(methylamino)ethyl]-1-[2-(6-methyl-3-pyridinyl)ethyl]indole-3-carbaldehyde (CID 89194137) is 5-methyl-2-[2-(methylamino)ethyl]-1-[2-(6-methyl-3-pyridinyl)ethyl]indole-3-carbaldehyde.
What is the SMILES notation for 5-methyl-2-[2-(methylamino)ethyl]-1-[2-(6-methyl-3-pyridinyl)ethyl]indole-3-carbaldehyde?
The canonical SMILES for 5-methyl-2-[2-(methylamino)ethyl]-1-[2-(6-methyl-3-pyridinyl)ethyl]indole-3-carbaldehyde is CNCCc1c(C=O)c2cc(C)ccc2n1CCc1ccc(C)nc1.
What is the InChIKey of 5-methyl-2-[2-(methylamino)ethyl]-1-[2-(6-methyl-3-pyridinyl)ethyl]indole-3-carbaldehyde?
The InChIKey is UYDJYLYRXHPKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-15-4-7-20-18(12-15)19(14-25)21(8-10-22-3)24(20)11-9-17-6-5-16(2)23-13-17/h4-7,12-14,22H,8-11H2,1-3H3.
What are the key properties of 5-methyl-2-[2-(methylamino)ethyl]-1-[2-(6-methyl-3-pyridinyl)ethyl]indole-3-carbaldehyde?
5-methyl-2-[2-(methylamino)ethyl]-1-[2-(6-methyl-3-pyridinyl)ethyl]indole-3-carbaldehyde has a molecular weight of 335.45 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-(methylamino)ethyl]-1-[2-(6-methyl-3-pyridinyl)ethyl]indole-3-carbaldehyde is sourced from PubChem (CID 89194137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).