2,3-dihydro-1H-indol-5-yl-(5-propoxy-3-pyridinyl)methanone

C17H18N2O2 — CID 116554126

IUPAC2,3-dihydro-1H-indol-5-yl-(5-propoxy-3-pyridinyl)methanone
SMILESCCCOc1cncc(C(=O)c2ccc3c(c2)CCN3)c1
InChIInChI=1S/C17H18N2O2/c1-2-7-21-15-9-14(10-18-11-15)17(20)13-3-4-16-12(8-13)5-6-19-16/h3-4,8-11,19H,2,5-7H2,1H3
InChIKeyJURTWDKOCCLKPU-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.07
Rot. Bonds5

About 2,3-dihydro-1H-indol-5-yl-(5-propoxy-3-pyridinyl)methanone

2,3-dihydro-1H-indol-5-yl-(5-propoxy-3-pyridinyl)methanone (PubChem CID 116554126) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-5-yl-(5-propoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-5-yl-(5-propoxy-3-pyridinyl)methanone
PubChem CID116554126
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2,3-dihydro-1H-indol-5-yl-(5-propoxy-3-pyridinyl)methanone
SMILESCCCOc1cncc(C(=O)c2ccc3c(c2)CCN3)c1
InChIInChI=1S/C17H18N2O2/c1-2-7-21-15-9-14(10-18-11-15)17(20)13-3-4-16-12(8-13)5-6-19-16/h3-4,8-11,19H,2,5-7H2,1H3
InChIKeyJURTWDKOCCLKPU-UHFFFAOYSA-N
XLogP3.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1H-indol-5-yl-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 116554152
2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanone
CID 115794025
2,3-dihydro-1H-indol-6-yl-(4-propoxyphenyl)methanone
CID 116611963
(3-amino-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 116552207
(4-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115794168
(4-fluoro-3-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115794189
(3-amino-2-pyridinyl)-(5-propoxy-3-pyridinyl)methanone
CID 116613749
2,3-dihydro-1H-indol-5-yl(quinolin-3-yl)methanone
CID 116554096
5-(4-propoxyphenyl)-2,3-dihydro-1H-indole
CID 62800943
(3-bromo-2-pyridinyl)-(5-propoxy-3-pyridinyl)methanone
CID 113398222
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-indol-5-yl)methanone
CID 116554235
(2-amino-5-bromophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 82703850

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-5-yl-(5-propoxy-3-pyridinyl)methanone?
The IUPAC name of 2,3-dihydro-1H-indol-5-yl-(5-propoxy-3-pyridinyl)methanone (CID 116554126) is 2,3-dihydro-1H-indol-5-yl-(5-propoxy-3-pyridinyl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-5-yl-(5-propoxy-3-pyridinyl)methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-5-yl-(5-propoxy-3-pyridinyl)methanone is CCCOc1cncc(C(=O)c2ccc3c(c2)CCN3)c1.
What is the InChIKey of 2,3-dihydro-1H-indol-5-yl-(5-propoxy-3-pyridinyl)methanone?
The InChIKey is JURTWDKOCCLKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-2-7-21-15-9-14(10-18-11-15)17(20)13-3-4-16-12(8-13)5-6-19-16/h3-4,8-11,19H,2,5-7H2,1H3.
What are the key properties of 2,3-dihydro-1H-indol-5-yl-(5-propoxy-3-pyridinyl)methanone?
2,3-dihydro-1H-indol-5-yl-(5-propoxy-3-pyridinyl)methanone has a molecular weight of 282.34 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-5-yl-(5-propoxy-3-pyridinyl)methanone is sourced from PubChem (CID 116554126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).