5-[[2-(5-methoxyindol-1-yl)acetyl]amino]-3,6-dimethylpyridine-2-carboxylic acid

C19H19N3O4 — CID 167985231

IUPAC5-[[2-(5-methoxyindol-1-yl)acetyl]amino]-3,6-dimethylpyridine-2-carboxylic acid
SMILESCOc1ccc2c(ccn2CC(=O)Nc2cc(C)c(C(=O)O)nc2C)c1
InChIInChI=1S/C19H19N3O4/c1-11-8-15(12(2)20-18(11)19(24)25)21-17(23)10-22-7-6-13-9-14(26-3)4-5-16(13)22/h4-9H,10H2,1-3H3,(H,21,23)(H,24,25)
InChIKeyFKQNXNWRUDBBHT-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.00
Rot. Bonds5

About 5-[[2-(5-methoxyindol-1-yl)acetyl]amino]-3,6-dimethylpyridine-2-carboxylic acid

5-[[2-(5-methoxyindol-1-yl)acetyl]amino]-3,6-dimethylpyridine-2-carboxylic acid (PubChem CID 167985231) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 5-[[2-(5-methoxyindol-1-yl)acetyl]amino]-3,6-dimethylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(5-methoxyindol-1-yl)acetyl]amino]-3,6-dimethylpyridine-2-carboxylic acid
PubChem CID167985231
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name5-[[2-(5-methoxyindol-1-yl)acetyl]amino]-3,6-dimethylpyridine-2-carboxylic acid
SMILESCOc1ccc2c(ccn2CC(=O)Nc2cc(C)c(C(=O)O)nc2C)c1
InChIInChI=1S/C19H19N3O4/c1-11-8-15(12(2)20-18(11)19(24)25)21-17(23)10-22-7-6-13-9-14(26-3)4-5-16(13)22/h4-9H,10H2,1-3H3,(H,21,23)(H,24,25)
InChIKeyFKQNXNWRUDBBHT-UHFFFAOYSA-N
XLogP3.00
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[2-(5-methoxyindol-1-yl)acetyl]amino]-3,6-dimethylpyridine-2-carboxylic acid with MolForge

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Related Compounds

2-(5-methoxyindol-1-yl)-N-pyridin-2-ylacetamide
CID 29137208
N-tert-butyl-2-(5-methoxyindol-1-yl)acetamide
CID 115582184
(2S)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]propanoic acid
CID 39377928
N-(5-bromo-2-pyridinyl)-2-(5-methoxyindol-1-yl)acetamide
CID 29139061
N-(5-chloro-2-pyridinyl)-2-(5-methoxyindol-1-yl)acetamide
CID 29131192
2-(5-methoxyindol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 29133435
methyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate
CID 29135985
2-(5-methoxyindol-1-yl)-N-prop-2-ynylacetamide
CID 115582181
ethyl 4-(5-methoxyindol-1-yl)-3-oxobutanoate
CID 63899069
ethyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate
CID 29127327
2-(5-methoxyindol-1-yl)-N-(1-propan-2-ylindol-4-yl)acetamide
CID 56763610
2-(5-methoxyindol-1-yl)-N-(5-piperidin-1-yl-2-pyridinyl)acetamide
CID 78878201

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(5-methoxyindol-1-yl)acetyl]amino]-3,6-dimethylpyridine-2-carboxylic acid?
The IUPAC name of 5-[[2-(5-methoxyindol-1-yl)acetyl]amino]-3,6-dimethylpyridine-2-carboxylic acid (CID 167985231) is 5-[[2-(5-methoxyindol-1-yl)acetyl]amino]-3,6-dimethylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(5-methoxyindol-1-yl)acetyl]amino]-3,6-dimethylpyridine-2-carboxylic acid?
The canonical SMILES for 5-[[2-(5-methoxyindol-1-yl)acetyl]amino]-3,6-dimethylpyridine-2-carboxylic acid is COc1ccc2c(ccn2CC(=O)Nc2cc(C)c(C(=O)O)nc2C)c1.
What is the InChIKey of 5-[[2-(5-methoxyindol-1-yl)acetyl]amino]-3,6-dimethylpyridine-2-carboxylic acid?
The InChIKey is FKQNXNWRUDBBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-11-8-15(12(2)20-18(11)19(24)25)21-17(23)10-22-7-6-13-9-14(26-3)4-5-16(13)22/h4-9H,10H2,1-3H3,(H,21,23)(H,24,25).
What are the key properties of 5-[[2-(5-methoxyindol-1-yl)acetyl]amino]-3,6-dimethylpyridine-2-carboxylic acid?
5-[[2-(5-methoxyindol-1-yl)acetyl]amino]-3,6-dimethylpyridine-2-carboxylic acid has a molecular weight of 353.38 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(5-methoxyindol-1-yl)acetyl]amino]-3,6-dimethylpyridine-2-carboxylic acid is sourced from PubChem (CID 167985231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).