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

C17H18N2O2 — CID 116554152

IUPAC2,3-dihydro-1H-indol-5-yl-(5-propan-2-yloxy-3-pyridinyl)methanone
SMILESCC(C)Oc1cncc(C(=O)c2ccc3c(c2)CCN3)c1
InChIInChI=1S/C17H18N2O2/c1-11(2)21-15-8-14(9-18-10-15)17(20)13-3-4-16-12(7-13)5-6-19-16/h3-4,7-11,19H,5-6H2,1-2H3
InChIKeyWNKUBBVUHMZPOQ-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.07
Rot. Bonds4

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

2,3-dihydro-1H-indol-5-yl-(5-propan-2-yloxy-3-pyridinyl)methanone (PubChem CID 116554152) 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-propan-2-yloxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-5-yl-(5-propan-2-yloxy-3-pyridinyl)methanone
PubChem CID116554152
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2,3-dihydro-1H-indol-5-yl-(5-propan-2-yloxy-3-pyridinyl)methanone
SMILESCC(C)Oc1cncc(C(=O)c2ccc3c(c2)CCN3)c1
InChIInChI=1S/C17H18N2O2/c1-11(2)21-15-8-14(9-18-10-15)17(20)13-3-4-16-12(7-13)5-6-19-16/h3-4,7-11,19H,5-6H2,1-2H3
InChIKeyWNKUBBVUHMZPOQ-UHFFFAOYSA-N
XLogP3.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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-propoxy-3-pyridinyl)methanone
CID 116554126
2,3-dihydro-1H-indol-5-yl(pyrimidin-5-yl)methanone
CID 116554112
2,3-dihydro-1H-indol-5-yl-(2-propan-2-yloxyphenyl)methanone
CID 116554090
(3-amino-4-chlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 116552234
(3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 115794697
(3-fluoro-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 115794555
2,3-dihydro-1H-indol-5-yl-(3,4-dimethoxyphenyl)methanone
CID 116554163
(5-methylfuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 115794614
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-indol-5-yl)methanone
CID 116554235
(5-fluoro-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanone
CID 114963628
(2-amino-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 116581347
methyl 2-(2,3-dihydro-1H-indole-5-carbonylamino)propanoate
CID 60780386

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-5-yl-(5-propan-2-yloxy-3-pyridinyl)methanone?
The IUPAC name of 2,3-dihydro-1H-indol-5-yl-(5-propan-2-yloxy-3-pyridinyl)methanone (CID 116554152) is 2,3-dihydro-1H-indol-5-yl-(5-propan-2-yloxy-3-pyridinyl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-5-yl-(5-propan-2-yloxy-3-pyridinyl)methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-5-yl-(5-propan-2-yloxy-3-pyridinyl)methanone is CC(C)Oc1cncc(C(=O)c2ccc3c(c2)CCN3)c1.
What is the InChIKey of 2,3-dihydro-1H-indol-5-yl-(5-propan-2-yloxy-3-pyridinyl)methanone?
The InChIKey is WNKUBBVUHMZPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-11(2)21-15-8-14(9-18-10-15)17(20)13-3-4-16-12(7-13)5-6-19-16/h3-4,7-11,19H,5-6H2,1-2H3.
What are the key properties of 2,3-dihydro-1H-indol-5-yl-(5-propan-2-yloxy-3-pyridinyl)methanone?
2,3-dihydro-1H-indol-5-yl-(5-propan-2-yloxy-3-pyridinyl)methanone has a molecular weight of 282.34 g/mol, XLogP of 3.07, 4 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-propan-2-yloxy-3-pyridinyl)methanone is sourced from PubChem (CID 116554152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).