1,7-dimethyl-5-(pyridin-3-ylmethoxy)indole-2-carboxylic acid

C17H16N2O3 — CID 170299537

IUPAC1,7-dimethyl-5-(pyridin-3-ylmethoxy)indole-2-carboxylic acid
SMILESCc1cc(OCc2cccnc2)cc2cc(C(=O)O)n(C)c12
InChIInChI=1S/C17H16N2O3/c1-11-6-14(22-10-12-4-3-5-18-9-12)7-13-8-15(17(20)21)19(2)16(11)13/h3-9H,10H2,1-2H3,(H,20,21)
InChIKeyQDXKSCCQUJMQKI-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.16
Rot. Bonds4

About 1,7-dimethyl-5-(pyridin-3-ylmethoxy)indole-2-carboxylic acid

1,7-dimethyl-5-(pyridin-3-ylmethoxy)indole-2-carboxylic acid (PubChem CID 170299537) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1,7-dimethyl-5-(pyridin-3-ylmethoxy)indole-2-carboxylic acid.

Molecular Properties

Compound Name1,7-dimethyl-5-(pyridin-3-ylmethoxy)indole-2-carboxylic acid
PubChem CID170299537
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name1,7-dimethyl-5-(pyridin-3-ylmethoxy)indole-2-carboxylic acid
SMILESCc1cc(OCc2cccnc2)cc2cc(C(=O)O)n(C)c12
InChIInChI=1S/C17H16N2O3/c1-11-6-14(22-10-12-4-3-5-18-9-12)7-13-8-15(17(20)21)19(2)16(11)13/h3-9H,10H2,1-2H3,(H,20,21)
InChIKeyQDXKSCCQUJMQKI-UHFFFAOYSA-N
XLogP3.16
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,7-dimethyl-5-(pyridin-3-ylmethoxy)indole-2-carboxylic acid 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

1,7-dimethyl-5-phenylmethoxyindole-2-carboxylic acid
CID 145364314
ethane;1-methyl-7-propan-2-yl-5-(pyridin-3-ylmethoxy)indole-2-carboxylic acid
CID 145364108
3-[(4-chloro-3,5-dimethylphenoxy)methyl]pyridine
CID 112828338
7-[2-(2-carboxy-1-methyl-5-phenylmethoxyindol-7-yl)-2-methylpropoxy]-1,4-dimethylindole-2-carboxylic acid
CID 166734569
N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]acetamide
CID 143592971
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
[3-(pyridin-3-ylmethoxy)phenyl] benzoate
CID 11460927
3-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enoic acid
CID 53405816
N-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide
CID 154800116
3-[(7-methoxynaphthalen-2-yl)oxymethyl]pyridine
CID 166203848

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-5-(pyridin-3-ylmethoxy)indole-2-carboxylic acid?
The IUPAC name of 1,7-dimethyl-5-(pyridin-3-ylmethoxy)indole-2-carboxylic acid (CID 170299537) is 1,7-dimethyl-5-(pyridin-3-ylmethoxy)indole-2-carboxylic acid.
What is the SMILES notation for 1,7-dimethyl-5-(pyridin-3-ylmethoxy)indole-2-carboxylic acid?
The canonical SMILES for 1,7-dimethyl-5-(pyridin-3-ylmethoxy)indole-2-carboxylic acid is Cc1cc(OCc2cccnc2)cc2cc(C(=O)O)n(C)c12.
What is the InChIKey of 1,7-dimethyl-5-(pyridin-3-ylmethoxy)indole-2-carboxylic acid?
The InChIKey is QDXKSCCQUJMQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-11-6-14(22-10-12-4-3-5-18-9-12)7-13-8-15(17(20)21)19(2)16(11)13/h3-9H,10H2,1-2H3,(H,20,21).
What are the key properties of 1,7-dimethyl-5-(pyridin-3-ylmethoxy)indole-2-carboxylic acid?
1,7-dimethyl-5-(pyridin-3-ylmethoxy)indole-2-carboxylic acid has a molecular weight of 296.33 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-5-(pyridin-3-ylmethoxy)indole-2-carboxylic acid is sourced from PubChem (CID 170299537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).