5-ethoxy-1-ethyl-3-methyl-N-(3-propoxy-2-pyridinyl)indole-2-carboxamide

C22H27N3O3 — CID 110504048

IUPAC5-ethoxy-1-ethyl-3-methyl-N-(3-propoxy-2-pyridinyl)indole-2-carboxamide
SMILESCCCOc1cccnc1NC(=O)c1c(C)c2cc(OCC)ccc2n1CC
InChIInChI=1S/C22H27N3O3/c1-5-13-28-19-9-8-12-23-21(19)24-22(26)20-15(4)17-14-16(27-7-3)10-11-18(17)25(20)6-2/h8-12,14H,5-7,13H2,1-4H3,(H,23,24,26)
InChIKeyWCFAJUJLHMALNE-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.80
Rot. Bonds8

About 5-ethoxy-1-ethyl-3-methyl-N-(3-propoxy-2-pyridinyl)indole-2-carboxamide

5-ethoxy-1-ethyl-3-methyl-N-(3-propoxy-2-pyridinyl)indole-2-carboxamide (PubChem CID 110504048) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 5-ethoxy-1-ethyl-3-methyl-N-(3-propoxy-2-pyridinyl)indole-2-carboxamide.

Molecular Properties

Compound Name5-ethoxy-1-ethyl-3-methyl-N-(3-propoxy-2-pyridinyl)indole-2-carboxamide
PubChem CID110504048
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name5-ethoxy-1-ethyl-3-methyl-N-(3-propoxy-2-pyridinyl)indole-2-carboxamide
SMILESCCCOc1cccnc1NC(=O)c1c(C)c2cc(OCC)ccc2n1CC
InChIInChI=1S/C22H27N3O3/c1-5-13-28-19-9-8-12-23-21(19)24-22(26)20-15(4)17-14-16(27-7-3)10-11-18(17)25(20)6-2/h8-12,14H,5-7,13H2,1-4H3,(H,23,24,26)
InChIKeyWCFAJUJLHMALNE-UHFFFAOYSA-N
XLogP4.80
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 5-ethoxy-1-ethyl-3-methyl-N-(3-propoxy-2-pyridinyl)indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethoxy-1-ethyl-3-methyl-N-(2-phenoxyphenyl)indole-2-carboxamide
CID 110502299
5-ethoxy-1-ethyl-3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)indole-2-carboxamide
CID 110503961
N-(3,4-dichlorophenyl)-5-ethoxy-1-ethyl-3-methylindole-2-carboxamide
CID 110502266
5-ethoxy-1-ethyl-N-(4-ethylphenyl)-3-methylindole-2-carboxamide
CID 110502331
5-ethoxy-1-ethyl-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)indole-2-carboxamide
CID 110504039
N-(3-chloro-4-fluorophenyl)-5-ethoxy-1-ethyl-3-methylindole-2-carboxamide
CID 110502258
5-ethoxy-1-ethyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methylindole-2-carboxamide
CID 110503964
2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]butanoic acid
CID 110497828
5-ethoxy-1-ethyl-3-methyl-N-(3-propan-2-yloxypropyl)indole-2-carboxamide
CID 110497818
5-ethoxy-1-ethyl-N-[(2-fluorophenyl)methyl]-3-methylindole-2-carboxamide
CID 110497845
5-ethoxy-1-ethyl-3-methyl-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indole-2-carboxamide
CID 110503977
N-(2-ethoxyphenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501681

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-ethyl-3-methyl-N-(3-propoxy-2-pyridinyl)indole-2-carboxamide?
The IUPAC name of 5-ethoxy-1-ethyl-3-methyl-N-(3-propoxy-2-pyridinyl)indole-2-carboxamide (CID 110504048) is 5-ethoxy-1-ethyl-3-methyl-N-(3-propoxy-2-pyridinyl)indole-2-carboxamide.
What is the SMILES notation for 5-ethoxy-1-ethyl-3-methyl-N-(3-propoxy-2-pyridinyl)indole-2-carboxamide?
The canonical SMILES for 5-ethoxy-1-ethyl-3-methyl-N-(3-propoxy-2-pyridinyl)indole-2-carboxamide is CCCOc1cccnc1NC(=O)c1c(C)c2cc(OCC)ccc2n1CC.
What is the InChIKey of 5-ethoxy-1-ethyl-3-methyl-N-(3-propoxy-2-pyridinyl)indole-2-carboxamide?
The InChIKey is WCFAJUJLHMALNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-5-13-28-19-9-8-12-23-21(19)24-22(26)20-15(4)17-14-16(27-7-3)10-11-18(17)25(20)6-2/h8-12,14H,5-7,13H2,1-4H3,(H,23,24,26).
What are the key properties of 5-ethoxy-1-ethyl-3-methyl-N-(3-propoxy-2-pyridinyl)indole-2-carboxamide?
5-ethoxy-1-ethyl-3-methyl-N-(3-propoxy-2-pyridinyl)indole-2-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-ethyl-3-methyl-N-(3-propoxy-2-pyridinyl)indole-2-carboxamide is sourced from PubChem (CID 110504048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).