N-(3-oxo-1,2-dihydroinden-2-yl)pyridine-4-carboxamide

C15H12N2O2 — CID 10083556

IUPACN-(3-oxo-1,2-dihydroinden-2-yl)pyridine-4-carboxamide
SMILESO=C(NC1Cc2ccccc2C1=O)c1ccncc1
InChIInChI=1S/C15H12N2O2/c18-14-12-4-2-1-3-11(12)9-13(14)17-15(19)10-5-7-16-8-6-10/h1-8,13H,9H2,(H,17,19)
InChIKeyGILGOHJVAVLLTA-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.62
Rot. Bonds2

About N-(3-oxo-1,2-dihydroinden-2-yl)pyridine-4-carboxamide

N-(3-oxo-1,2-dihydroinden-2-yl)pyridine-4-carboxamide (PubChem CID 10083556) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-(3-oxo-1,2-dihydroinden-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-oxo-1,2-dihydroinden-2-yl)pyridine-4-carboxamide
PubChem CID10083556
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC NameN-(3-oxo-1,2-dihydroinden-2-yl)pyridine-4-carboxamide
SMILESO=C(NC1Cc2ccccc2C1=O)c1ccncc1
InChIInChI=1S/C15H12N2O2/c18-14-12-4-2-1-3-11(12)9-13(14)17-15(19)10-5-7-16-8-6-10/h1-8,13H,9H2,(H,17,19)
InChIKeyGILGOHJVAVLLTA-UHFFFAOYSA-N
XLogP1.62
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-1,2-dihydroinden-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-(3-oxo-1,2-dihydroinden-2-yl)pyridine-4-carboxamide (CID 10083556) is N-(3-oxo-1,2-dihydroinden-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-oxo-1,2-dihydroinden-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(3-oxo-1,2-dihydroinden-2-yl)pyridine-4-carboxamide is O=C(NC1Cc2ccccc2C1=O)c1ccncc1.
What is the InChIKey of N-(3-oxo-1,2-dihydroinden-2-yl)pyridine-4-carboxamide?
The InChIKey is GILGOHJVAVLLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-14-12-4-2-1-3-11(12)9-13(14)17-15(19)10-5-7-16-8-6-10/h1-8,13H,9H2,(H,17,19).
What are the key properties of N-(3-oxo-1,2-dihydroinden-2-yl)pyridine-4-carboxamide?
N-(3-oxo-1,2-dihydroinden-2-yl)pyridine-4-carboxamide has a molecular weight of 252.27 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-1,2-dihydroinden-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 10083556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).