(2-tert-butyl-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone

C18H20N2O — CID 663922

IUPAC(2-tert-butyl-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
SMILESCC(C)(C)c1cc(C(=O)N2CCc3ccccc32)ccn1
InChIInChI=1S/C18H20N2O/c1-18(2,3)16-12-14(8-10-19-16)17(21)20-11-9-13-6-4-5-7-15(13)20/h4-8,10,12H,9,11H2,1-3H3
InChIKeyKSABOQWJWSNFOG-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.58
Rot. Bonds1

About (2-tert-butyl-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone

(2-tert-butyl-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone (PubChem CID 663922) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (2-tert-butyl-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(2-tert-butyl-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
PubChem CID663922
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(2-tert-butyl-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
SMILESCC(C)(C)c1cc(C(=O)N2CCc3ccccc32)ccn1
InChIInChI=1S/C18H20N2O/c1-18(2,3)16-12-14(8-10-19-16)17(21)20-11-9-13-6-4-5-7-15(13)20/h4-8,10,12H,9,11H2,1-3H3
InChIKeyKSABOQWJWSNFOG-UHFFFAOYSA-N
XLogP3.58
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (2-tert-butyl-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone (CID 663922) is (2-tert-butyl-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (2-tert-butyl-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (2-tert-butyl-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone is CC(C)(C)c1cc(C(=O)N2CCc3ccccc32)ccn1.
What is the InChIKey of (2-tert-butyl-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is KSABOQWJWSNFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-18(2,3)16-12-14(8-10-19-16)17(21)20-11-9-13-6-4-5-7-15(13)20/h4-8,10,12H,9,11H2,1-3H3.
What are the key properties of (2-tert-butyl-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone?
(2-tert-butyl-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 280.37 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 663922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).