5-[[2-(propan-2-ylcarbamoyl)-4-pyridinyl]oxy]indole-1-carboxylic acid

C18H17N3O4 — CID 71149256

IUPAC5-[[2-(propan-2-ylcarbamoyl)-4-pyridinyl]oxy]indole-1-carboxylic acid
SMILESCC(C)NC(=O)c1cc(Oc2ccc3c(ccn3C(=O)O)c2)ccn1
InChIInChI=1S/C18H17N3O4/c1-11(2)20-17(22)15-10-14(5-7-19-15)25-13-3-4-16-12(9-13)6-8-21(16)18(23)24/h3-11H,1-2H3,(H,20,22)(H,23,24)
InChIKeyFONIUPUYWCKKAH-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.49
Rot. Bonds4

About 5-[[2-(propan-2-ylcarbamoyl)-4-pyridinyl]oxy]indole-1-carboxylic acid

5-[[2-(propan-2-ylcarbamoyl)-4-pyridinyl]oxy]indole-1-carboxylic acid (PubChem CID 71149256) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 5-[[2-(propan-2-ylcarbamoyl)-4-pyridinyl]oxy]indole-1-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(propan-2-ylcarbamoyl)-4-pyridinyl]oxy]indole-1-carboxylic acid
PubChem CID71149256
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name5-[[2-(propan-2-ylcarbamoyl)-4-pyridinyl]oxy]indole-1-carboxylic acid
SMILESCC(C)NC(=O)c1cc(Oc2ccc3c(ccn3C(=O)O)c2)ccn1
InChIInChI=1S/C18H17N3O4/c1-11(2)20-17(22)15-10-14(5-7-19-15)25-13-3-4-16-12(9-13)6-8-21(16)18(23)24/h3-11H,1-2H3,(H,20,22)(H,23,24)
InChIKeyFONIUPUYWCKKAH-UHFFFAOYSA-N
XLogP3.49
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[2-(propan-2-ylcarbamoyl)-4-pyridinyl]oxy]indole-1-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

5-methoxyindole-1-carboxylic acid
CID 68566461
5-[[2-(morpholin-4-ylmethyl)-4-pyridinyl]oxy]indole-1-carboxylic acid
CID 71183030
N-methyl-4-[1-methyl-2-[4-(propan-2-ylcarbamoyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22040471
N-methyl-4-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)oxypyridine-2-carboxamide;molecular hydrogen
CID 164540019
2-N,4-N-di(propan-2-yl)pyridine-2,4-dicarboxamide
CID 109078008
5-[(2-amino-4-pyridinyl)oxy]-N-(3-methylsulfanylpropyl)indole-1-carboxamide
CID 91385858
5-[[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
CID 10343072
N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide
CID 59394382
5-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyindole-1-carboxylic acid
CID 68668381
5-(2-methyl-6-methylsulfonylpyrimidin-4-yl)oxyindole-1-carboxylic acid
CID 67538833
5-[6-[cyano(trimethylsilyloxy)methyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid
CID 67535151
5-[6-[[acetyl(methyl)amino]methyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid
CID 67538335

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(propan-2-ylcarbamoyl)-4-pyridinyl]oxy]indole-1-carboxylic acid?
The IUPAC name of 5-[[2-(propan-2-ylcarbamoyl)-4-pyridinyl]oxy]indole-1-carboxylic acid (CID 71149256) is 5-[[2-(propan-2-ylcarbamoyl)-4-pyridinyl]oxy]indole-1-carboxylic acid.
What is the SMILES notation for 5-[[2-(propan-2-ylcarbamoyl)-4-pyridinyl]oxy]indole-1-carboxylic acid?
The canonical SMILES for 5-[[2-(propan-2-ylcarbamoyl)-4-pyridinyl]oxy]indole-1-carboxylic acid is CC(C)NC(=O)c1cc(Oc2ccc3c(ccn3C(=O)O)c2)ccn1.
What is the InChIKey of 5-[[2-(propan-2-ylcarbamoyl)-4-pyridinyl]oxy]indole-1-carboxylic acid?
The InChIKey is FONIUPUYWCKKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-11(2)20-17(22)15-10-14(5-7-19-15)25-13-3-4-16-12(9-13)6-8-21(16)18(23)24/h3-11H,1-2H3,(H,20,22)(H,23,24).
What are the key properties of 5-[[2-(propan-2-ylcarbamoyl)-4-pyridinyl]oxy]indole-1-carboxylic acid?
5-[[2-(propan-2-ylcarbamoyl)-4-pyridinyl]oxy]indole-1-carboxylic acid has a molecular weight of 339.35 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(propan-2-ylcarbamoyl)-4-pyridinyl]oxy]indole-1-carboxylic acid is sourced from PubChem (CID 71149256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).