1-(2,3-dihydro-1H-inden-5-yl)-6-oxopyridine-3-carboxamide

C15H14N2O2 — CID 45086937

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-6-oxopyridine-3-carboxamide
SMILESNC(=O)c1ccc(=O)n(-c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C15H14N2O2/c16-15(19)12-5-7-14(18)17(9-12)13-6-4-10-2-1-3-11(10)8-13/h4-9H,1-3H2,(H2,16,19)
InChIKeyOXZDZVXKXBSJCC-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.43
Rot. Bonds2

About 1-(2,3-dihydro-1H-inden-5-yl)-6-oxopyridine-3-carboxamide

1-(2,3-dihydro-1H-inden-5-yl)-6-oxopyridine-3-carboxamide (PubChem CID 45086937) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-6-oxopyridine-3-carboxamide
PubChem CID45086937
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-6-oxopyridine-3-carboxamide
SMILESNC(=O)c1ccc(=O)n(-c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C15H14N2O2/c16-15(19)12-5-7-14(18)17(9-12)13-6-4-10-2-1-3-11(10)8-13/h4-9H,1-3H2,(H2,16,19)
InChIKeyOXZDZVXKXBSJCC-UHFFFAOYSA-N
XLogP1.43
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-6-oxopyridine-3-carboxamide (CID 45086937) is 1-(2,3-dihydro-1H-inden-5-yl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-6-oxopyridine-3-carboxamide is NC(=O)c1ccc(=O)n(-c2ccc3c(c2)CCC3)c1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-6-oxopyridine-3-carboxamide?
The InChIKey is OXZDZVXKXBSJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c16-15(19)12-5-7-14(18)17(9-12)13-6-4-10-2-1-3-11(10)8-13/h4-9H,1-3H2,(H2,16,19).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-6-oxopyridine-3-carboxamide?
1-(2,3-dihydro-1H-inden-5-yl)-6-oxopyridine-3-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 45086937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).