5-[[2-(morpholin-4-ylmethyl)-4-pyridinyl]oxy]indole-1-carboxylic acid

C19H19N3O4 — CID 71183030

IUPAC5-[[2-(morpholin-4-ylmethyl)-4-pyridinyl]oxy]indole-1-carboxylic acid
SMILESO=C(O)n1ccc2cc(Oc3ccnc(CN4CCOCC4)c3)ccc21
InChIInChI=1S/C19H19N3O4/c23-19(24)22-6-4-14-11-16(1-2-18(14)22)26-17-3-5-20-15(12-17)13-21-7-9-25-10-8-21/h1-6,11-12H,7-10,13H2,(H,23,24)
InChIKeySKSNHTNYZSHUSQ-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.19
Rot. Bonds4

About 5-[[2-(morpholin-4-ylmethyl)-4-pyridinyl]oxy]indole-1-carboxylic acid

5-[[2-(morpholin-4-ylmethyl)-4-pyridinyl]oxy]indole-1-carboxylic acid (PubChem CID 71183030) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 5-[[2-(morpholin-4-ylmethyl)-4-pyridinyl]oxy]indole-1-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(morpholin-4-ylmethyl)-4-pyridinyl]oxy]indole-1-carboxylic acid
PubChem CID71183030
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name5-[[2-(morpholin-4-ylmethyl)-4-pyridinyl]oxy]indole-1-carboxylic acid
SMILESO=C(O)n1ccc2cc(Oc3ccnc(CN4CCOCC4)c3)ccc21
InChIInChI=1S/C19H19N3O4/c23-19(24)22-6-4-14-11-16(1-2-18(14)22)26-17-3-5-20-15(12-17)13-21-7-9-25-10-8-21/h1-6,11-12H,7-10,13H2,(H,23,24)
InChIKeySKSNHTNYZSHUSQ-UHFFFAOYSA-N
XLogP3.19
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[1-(morpholine-4-carbonyl)indol-5-yl]oxy-2-pyridinyl]-phenylcarbamic acid
CID 69312740
phenyl N-[4-[1-(morpholine-4-carbonyl)indol-5-yl]oxy-2-pyridinyl]-N-phenoxycarbonylcarbamate
CID 69316965
5-[[2-(propan-2-ylcarbamoyl)-4-pyridinyl]oxy]indole-1-carboxylic acid
CID 71149256
N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide
CID 59394382
5-methoxyindole-1-carboxylic acid
CID 68566461
4-[(4-chloro-2-pyridinyl)methyl]morpholine
CID 22025268
N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide
CID 59394638
5-[6-[[acetyl(methyl)amino]methyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid
CID 67538335
5-[6-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394305
5-[[2-[(4-hydroxypiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]-N-(3-methylbutyl)indole-1-carboxamide
CID 10073189
5-[[2-[(2-hydroxyethylamino)methyl]-4-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394192
1-(cyclopropylmethyl)-N-[4-[1-(2-phenylacetyl)indol-5-yl]oxy-2-pyridinyl]piperidine-4-carboxamide
CID 58272881

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(morpholin-4-ylmethyl)-4-pyridinyl]oxy]indole-1-carboxylic acid?
The IUPAC name of 5-[[2-(morpholin-4-ylmethyl)-4-pyridinyl]oxy]indole-1-carboxylic acid (CID 71183030) is 5-[[2-(morpholin-4-ylmethyl)-4-pyridinyl]oxy]indole-1-carboxylic acid.
What is the SMILES notation for 5-[[2-(morpholin-4-ylmethyl)-4-pyridinyl]oxy]indole-1-carboxylic acid?
The canonical SMILES for 5-[[2-(morpholin-4-ylmethyl)-4-pyridinyl]oxy]indole-1-carboxylic acid is O=C(O)n1ccc2cc(Oc3ccnc(CN4CCOCC4)c3)ccc21.
What is the InChIKey of 5-[[2-(morpholin-4-ylmethyl)-4-pyridinyl]oxy]indole-1-carboxylic acid?
The InChIKey is SKSNHTNYZSHUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c23-19(24)22-6-4-14-11-16(1-2-18(14)22)26-17-3-5-20-15(12-17)13-21-7-9-25-10-8-21/h1-6,11-12H,7-10,13H2,(H,23,24).
What are the key properties of 5-[[2-(morpholin-4-ylmethyl)-4-pyridinyl]oxy]indole-1-carboxylic acid?
5-[[2-(morpholin-4-ylmethyl)-4-pyridinyl]oxy]indole-1-carboxylic acid has a molecular weight of 353.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(morpholin-4-ylmethyl)-4-pyridinyl]oxy]indole-1-carboxylic acid is sourced from PubChem (CID 71183030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).