2,3-dihydroindol-1-yl(pyridin-3-yl)methanone

C14H12N2O — CID 669080

IUPAC2,3-dihydroindol-1-yl(pyridin-3-yl)methanone
SMILESO=C(c1cccnc1)N1CCc2ccccc21
InChIInChI=1S/C14H12N2O/c17-14(12-5-3-8-15-10-12)16-9-7-11-4-1-2-6-13(11)16/h1-6,8,10H,7,9H2
InChIKeyYYKDBWANSKSVMO-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.28
Rot. Bonds1

About 2,3-dihydroindol-1-yl(pyridin-3-yl)methanone

2,3-dihydroindol-1-yl(pyridin-3-yl)methanone (PubChem CID 669080) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl(pyridin-3-yl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl(pyridin-3-yl)methanone
PubChem CID669080
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name2,3-dihydroindol-1-yl(pyridin-3-yl)methanone
SMILESO=C(c1cccnc1)N1CCc2ccccc21
InChIInChI=1S/C14H12N2O/c17-14(12-5-3-8-15-10-12)16-9-7-11-4-1-2-6-13(11)16/h1-6,8,10H,7,9H2
InChIKeyYYKDBWANSKSVMO-UHFFFAOYSA-N
XLogP2.28
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 5497
Tryptamide
CID 65768
Nicotinanilide
CID 74463
4-Phenyl-1-(pyridine-3-carbonyl)pyrrolidin-2-one
CID 3071506
Pha-767491
CID 11715767
N-(3-phenylpropyl)pyridine-3-carboxamide
CID 4648643
1-methyl-N-phenyl-1H-indole-3-carboxamide
CID 9038340
1-methyl-1H-indole-3-carboxamide
CID 823187
Parvine
CID 320217
Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, chloride (1:1)
CID 78774
Phenatine
CID 120640
(5-Phenyl-4,5-dihydro-1H-pyrazol-1-yl)(pyridin-3-yl)methanone
CID 3078467

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl(pyridin-3-yl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl(pyridin-3-yl)methanone (CID 669080) is 2,3-dihydroindol-1-yl(pyridin-3-yl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl(pyridin-3-yl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl(pyridin-3-yl)methanone is O=C(c1cccnc1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl(pyridin-3-yl)methanone?
The InChIKey is YYKDBWANSKSVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c17-14(12-5-3-8-15-10-12)16-9-7-11-4-1-2-6-13(11)16/h1-6,8,10H,7,9H2.
What are the key properties of 2,3-dihydroindol-1-yl(pyridin-3-yl)methanone?
2,3-dihydroindol-1-yl(pyridin-3-yl)methanone has a molecular weight of 224.26 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl(pyridin-3-yl)methanone is sourced from PubChem (CID 669080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).