2-[6-methoxy-2-(4-methylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid

C18H16N2O4 — CID 18542252

IUPAC2-[6-methoxy-2-(4-methylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid
SMILESCOc1ccc2c(CC(=O)O)c(C(=O)c3cc(C)ccn3)[nH]c2c1
InChIInChI=1S/C18H16N2O4/c1-10-5-6-19-15(7-10)18(23)17-13(9-16(21)22)12-4-3-11(24-2)8-14(12)20-17/h3-8,20H,9H2,1-2H3,(H,21,22)
InChIKeyBVLDTQOJHAZUMB-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.74
Rot. Bonds5

About 2-[6-methoxy-2-(4-methylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid

2-[6-methoxy-2-(4-methylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid (PubChem CID 18542252) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-[6-methoxy-2-(4-methylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-methoxy-2-(4-methylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid
PubChem CID18542252
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name2-[6-methoxy-2-(4-methylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid
SMILESCOc1ccc2c(CC(=O)O)c(C(=O)c3cc(C)ccn3)[nH]c2c1
InChIInChI=1S/C18H16N2O4/c1-10-5-6-19-15(7-10)18(23)17-13(9-16(21)22)12-4-3-11(24-2)8-14(12)20-17/h3-8,20H,9H2,1-2H3,(H,21,22)
InChIKeyBVLDTQOJHAZUMB-UHFFFAOYSA-N
XLogP2.74
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-methoxy-2-(4-methylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[6-methoxy-2-(4-methylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid (CID 18542252) is 2-[6-methoxy-2-(4-methylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[6-methoxy-2-(4-methylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[6-methoxy-2-(4-methylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid is COc1ccc2c(CC(=O)O)c(C(=O)c3cc(C)ccn3)[nH]c2c1.
What is the InChIKey of 2-[6-methoxy-2-(4-methylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid?
The InChIKey is BVLDTQOJHAZUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-10-5-6-19-15(7-10)18(23)17-13(9-16(21)22)12-4-3-11(24-2)8-14(12)20-17/h3-8,20H,9H2,1-2H3,(H,21,22).
What are the key properties of 2-[6-methoxy-2-(4-methylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid?
2-[6-methoxy-2-(4-methylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid has a molecular weight of 324.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methoxy-2-(4-methylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 18542252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).