2-[2-methyl-3-(6-oxo-1-propan-2-yl-3-pyridinyl)indol-1-yl]acetic acid

C19H20N2O3 — CID 67150789

IUPAC2-[2-methyl-3-(6-oxo-1-propan-2-yl-3-pyridinyl)indol-1-yl]acetic acid
SMILESCc1c(-c2ccc(=O)n(C(C)C)c2)c2ccccc2n1CC(=O)O
InChIInChI=1S/C19H20N2O3/c1-12(2)20-10-14(8-9-17(20)22)19-13(3)21(11-18(23)24)16-7-5-4-6-15(16)19/h4-10,12H,11H2,1-3H3,(H,23,24)
InChIKeyHSGHXTILSHXOOG-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.44
Rot. Bonds4

About 2-[2-methyl-3-(6-oxo-1-propan-2-yl-3-pyridinyl)indol-1-yl]acetic acid

2-[2-methyl-3-(6-oxo-1-propan-2-yl-3-pyridinyl)indol-1-yl]acetic acid (PubChem CID 67150789) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[2-methyl-3-(6-oxo-1-propan-2-yl-3-pyridinyl)indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-3-(6-oxo-1-propan-2-yl-3-pyridinyl)indol-1-yl]acetic acid
PubChem CID67150789
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-[2-methyl-3-(6-oxo-1-propan-2-yl-3-pyridinyl)indol-1-yl]acetic acid
SMILESCc1c(-c2ccc(=O)n(C(C)C)c2)c2ccccc2n1CC(=O)O
InChIInChI=1S/C19H20N2O3/c1-12(2)20-10-14(8-9-17(20)22)19-13(3)21(11-18(23)24)16-7-5-4-6-15(16)19/h4-10,12H,11H2,1-3H3,(H,23,24)
InChIKeyHSGHXTILSHXOOG-UHFFFAOYSA-N
XLogP3.44
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-3-(6-oxo-1-propan-2-yl-3-pyridinyl)indol-1-yl]acetic acid?
The IUPAC name of 2-[2-methyl-3-(6-oxo-1-propan-2-yl-3-pyridinyl)indol-1-yl]acetic acid (CID 67150789) is 2-[2-methyl-3-(6-oxo-1-propan-2-yl-3-pyridinyl)indol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-methyl-3-(6-oxo-1-propan-2-yl-3-pyridinyl)indol-1-yl]acetic acid?
The canonical SMILES for 2-[2-methyl-3-(6-oxo-1-propan-2-yl-3-pyridinyl)indol-1-yl]acetic acid is Cc1c(-c2ccc(=O)n(C(C)C)c2)c2ccccc2n1CC(=O)O.
What is the InChIKey of 2-[2-methyl-3-(6-oxo-1-propan-2-yl-3-pyridinyl)indol-1-yl]acetic acid?
The InChIKey is HSGHXTILSHXOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12(2)20-10-14(8-9-17(20)22)19-13(3)21(11-18(23)24)16-7-5-4-6-15(16)19/h4-10,12H,11H2,1-3H3,(H,23,24).
What are the key properties of 2-[2-methyl-3-(6-oxo-1-propan-2-yl-3-pyridinyl)indol-1-yl]acetic acid?
2-[2-methyl-3-(6-oxo-1-propan-2-yl-3-pyridinyl)indol-1-yl]acetic acid has a molecular weight of 324.38 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-3-(6-oxo-1-propan-2-yl-3-pyridinyl)indol-1-yl]acetic acid is sourced from PubChem (CID 67150789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).