5-(3-methyl-2-pyridin-3-ylindol-1-yl)pentanoic acid

C19H20N2O2 — CID 15591372

IUPAC5-(3-methyl-2-pyridin-3-ylindol-1-yl)pentanoic acid
SMILESCc1c(-c2cccnc2)n(CCCCC(=O)O)c2ccccc12
InChIInChI=1S/C19H20N2O2/c1-14-16-8-2-3-9-17(16)21(12-5-4-10-18(22)23)19(14)15-7-6-11-20-13-15/h2-3,6-9,11,13H,4-5,10,12H2,1H3,(H,22,23)
InChIKeyOMUAELKYUGNZPY-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.27
Rot. Bonds6

About 5-(3-methyl-2-pyridin-3-ylindol-1-yl)pentanoic acid

5-(3-methyl-2-pyridin-3-ylindol-1-yl)pentanoic acid (PubChem CID 15591372) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-(3-methyl-2-pyridin-3-ylindol-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(3-methyl-2-pyridin-3-ylindol-1-yl)pentanoic acid
PubChem CID15591372
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name5-(3-methyl-2-pyridin-3-ylindol-1-yl)pentanoic acid
SMILESCc1c(-c2cccnc2)n(CCCCC(=O)O)c2ccccc12
InChIInChI=1S/C19H20N2O2/c1-14-16-8-2-3-9-17(16)21(12-5-4-10-18(22)23)19(14)15-7-6-11-20-13-15/h2-3,6-9,11,13H,4-5,10,12H2,1H3,(H,22,23)
InChIKeyOMUAELKYUGNZPY-UHFFFAOYSA-N
XLogP4.27
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-2-pyridin-3-ylindol-1-yl)pentanoic acid?
The IUPAC name of 5-(3-methyl-2-pyridin-3-ylindol-1-yl)pentanoic acid (CID 15591372) is 5-(3-methyl-2-pyridin-3-ylindol-1-yl)pentanoic acid.
What is the SMILES notation for 5-(3-methyl-2-pyridin-3-ylindol-1-yl)pentanoic acid?
The canonical SMILES for 5-(3-methyl-2-pyridin-3-ylindol-1-yl)pentanoic acid is Cc1c(-c2cccnc2)n(CCCCC(=O)O)c2ccccc12.
What is the InChIKey of 5-(3-methyl-2-pyridin-3-ylindol-1-yl)pentanoic acid?
The InChIKey is OMUAELKYUGNZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-14-16-8-2-3-9-17(16)21(12-5-4-10-18(22)23)19(14)15-7-6-11-20-13-15/h2-3,6-9,11,13H,4-5,10,12H2,1H3,(H,22,23).
What are the key properties of 5-(3-methyl-2-pyridin-3-ylindol-1-yl)pentanoic acid?
5-(3-methyl-2-pyridin-3-ylindol-1-yl)pentanoic acid has a molecular weight of 308.38 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-2-pyridin-3-ylindol-1-yl)pentanoic acid is sourced from PubChem (CID 15591372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).