3-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-6-yl)-1H-indole-2-carboxylic acid

C17H20N2O2 — CID 25139701

IUPAC3-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-6-yl)-1H-indole-2-carboxylic acid
SMILESCCC1=CCCN(C)C1c1c(C(=O)O)[nH]c2ccccc12
InChIInChI=1S/C17H20N2O2/c1-3-11-7-6-10-19(2)16(11)14-12-8-4-5-9-13(12)18-15(14)17(20)21/h4-5,7-9,16,18H,3,6,10H2,1-2H3,(H,20,21)
InChIKeyJJMGJOFDIBPPAX-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.58
Rot. Bonds3

About 3-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-6-yl)-1H-indole-2-carboxylic acid

3-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-6-yl)-1H-indole-2-carboxylic acid (PubChem CID 25139701) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-6-yl)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name3-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-6-yl)-1H-indole-2-carboxylic acid
PubChem CID25139701
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-6-yl)-1H-indole-2-carboxylic acid
SMILESCCC1=CCCN(C)C1c1c(C(=O)O)[nH]c2ccccc12
InChIInChI=1S/C17H20N2O2/c1-3-11-7-6-10-19(2)16(11)14-12-8-4-5-9-13(12)18-15(14)17(20)21/h4-5,7-9,16,18H,3,6,10H2,1-2H3,(H,20,21)
InChIKeyJJMGJOFDIBPPAX-UHFFFAOYSA-N
XLogP3.58
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(1,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1H-indole-2-carboxylic acid;hydrochloride
CID 11493485
methyl 3-[(1,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1H-indole-2-carboxylate
CID 11673804
3-[2,3,5,6-tetraoxo-4-(2-propyl-1H-indol-3-yl)cyclohexyl]-1H-indole-2-carboxylic acid
CID 57307773
3-ethyl-4-sulfanylidene-1H-quinoline-2-carboxylic acid
CID 145301705
9H-carbazole;propanoic acid
CID 68841226
1-ethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylic acid
CID 130233348
3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid
CID 4648254
N-(4-ethylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204265
3-(methoxymethyl)-1H-indole-2-carboxylic acid
CID 54375862
3-pentoxy-1H-indole-2-carboxylic acid
CID 174363847
3-[4-(2-butyl-1H-indol-3-yl)-2,3,5,6-tetraoxocyclohexyl]-5-chloro-1H-indole-2-carboxylic acid
CID 91255155
3-[2-(4-ethylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 4688274

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-6-yl)-1H-indole-2-carboxylic acid?
The IUPAC name of 3-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-6-yl)-1H-indole-2-carboxylic acid (CID 25139701) is 3-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-6-yl)-1H-indole-2-carboxylic acid.
What is the SMILES notation for 3-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-6-yl)-1H-indole-2-carboxylic acid?
The canonical SMILES for 3-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-6-yl)-1H-indole-2-carboxylic acid is CCC1=CCCN(C)C1c1c(C(=O)O)[nH]c2ccccc12.
What is the InChIKey of 3-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-6-yl)-1H-indole-2-carboxylic acid?
The InChIKey is JJMGJOFDIBPPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-11-7-6-10-19(2)16(11)14-12-8-4-5-9-13(12)18-15(14)17(20)21/h4-5,7-9,16,18H,3,6,10H2,1-2H3,(H,20,21).
What are the key properties of 3-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-6-yl)-1H-indole-2-carboxylic acid?
3-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-6-yl)-1H-indole-2-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-6-yl)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 25139701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).