2-(2-amino-4-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanone

C16H16N2O — CID 65407228

IUPAC2-(2-amino-4-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanone
SMILESNc1cc(CC(=O)C2Cc3ccccc3C2)ccn1
InChIInChI=1S/C16H16N2O/c17-16-8-11(5-6-18-16)7-15(19)14-9-12-3-1-2-4-13(12)10-14/h1-6,8,14H,7,9-10H2,(H2,17,18)
InChIKeyGENGUTLAQJVMPQ-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.19
Rot. Bonds3

About 2-(2-amino-4-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanone

2-(2-amino-4-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanone (PubChem CID 65407228) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(2-amino-4-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-amino-4-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanone
PubChem CID65407228
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name2-(2-amino-4-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanone
SMILESNc1cc(CC(=O)C2Cc3ccccc3C2)ccn1
InChIInChI=1S/C16H16N2O/c17-16-8-11(5-6-18-16)7-15(19)14-9-12-3-1-2-4-13(12)10-14/h1-6,8,14H,7,9-10H2,(H2,17,18)
InChIKeyGENGUTLAQJVMPQ-UHFFFAOYSA-N
XLogP2.19
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanone?
The IUPAC name of 2-(2-amino-4-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanone (CID 65407228) is 2-(2-amino-4-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanone.
What is the SMILES notation for 2-(2-amino-4-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanone?
The canonical SMILES for 2-(2-amino-4-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanone is Nc1cc(CC(=O)C2Cc3ccccc3C2)ccn1.
What is the InChIKey of 2-(2-amino-4-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanone?
The InChIKey is GENGUTLAQJVMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c17-16-8-11(5-6-18-16)7-15(19)14-9-12-3-1-2-4-13(12)10-14/h1-6,8,14H,7,9-10H2,(H2,17,18).
What are the key properties of 2-(2-amino-4-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanone?
2-(2-amino-4-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanone has a molecular weight of 252.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanone is sourced from PubChem (CID 65407228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).