[6-[2-cyclopropylethyl(methyl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone

C20H23N3O — CID 133398579

IUPAC[6-[2-cyclopropylethyl(methyl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
SMILESCN(CCC1CC1)c1ccc(C(=O)N2CCc3ccccc32)cn1
InChIInChI=1S/C20H23N3O/c1-22(12-10-15-6-7-15)19-9-8-17(14-21-19)20(24)23-13-11-16-4-2-3-5-18(16)23/h2-5,8-9,14-15H,6-7,10-13H2,1H3
InChIKeyFTLAAQGLLDUMPT-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.52
Rot. Bonds5

About [6-[2-cyclopropylethyl(methyl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone

[6-[2-cyclopropylethyl(methyl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 133398579) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is [6-[2-cyclopropylethyl(methyl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[6-[2-cyclopropylethyl(methyl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID133398579
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name[6-[2-cyclopropylethyl(methyl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
SMILESCN(CCC1CC1)c1ccc(C(=O)N2CCc3ccccc32)cn1
InChIInChI=1S/C20H23N3O/c1-22(12-10-15-6-7-15)19-9-8-17(14-21-19)20(24)23-13-11-16-4-2-3-5-18(16)23/h2-5,8-9,14-15H,6-7,10-13H2,1H3
InChIKeyFTLAAQGLLDUMPT-UHFFFAOYSA-N
XLogP3.52
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-[2-cyclopropylethyl(methyl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [6-[2-cyclopropylethyl(methyl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone (CID 133398579) is [6-[2-cyclopropylethyl(methyl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [6-[2-cyclopropylethyl(methyl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [6-[2-cyclopropylethyl(methyl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone is CN(CCC1CC1)c1ccc(C(=O)N2CCc3ccccc32)cn1.
What is the InChIKey of [6-[2-cyclopropylethyl(methyl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is FTLAAQGLLDUMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-22(12-10-15-6-7-15)19-9-8-17(14-21-19)20(24)23-13-11-16-4-2-3-5-18(16)23/h2-5,8-9,14-15H,6-7,10-13H2,1H3.
What are the key properties of [6-[2-cyclopropylethyl(methyl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
[6-[2-cyclopropylethyl(methyl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 321.42 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-cyclopropylethyl(methyl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 133398579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).