1-oxo-N,2-dipyridin-2-ylisoquinoline-4-carboxamide

C20H14N4O2 — CID 71702404

IUPAC1-oxo-N,2-dipyridin-2-ylisoquinoline-4-carboxamide
SMILESO=C(Nc1ccccn1)c1cn(-c2ccccn2)c(=O)c2ccccc12
InChIInChI=1S/C20H14N4O2/c25-19(23-17-9-3-5-11-21-17)16-13-24(18-10-4-6-12-22-18)20(26)15-8-2-1-7-14(15)16/h1-13H,(H,21,23,25)
InChIKeyOOCORLMISSQOTQ-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.03
Rot. Bonds3

About 1-oxo-N,2-dipyridin-2-ylisoquinoline-4-carboxamide

1-oxo-N,2-dipyridin-2-ylisoquinoline-4-carboxamide (PubChem CID 71702404) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 1-oxo-N,2-dipyridin-2-ylisoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-oxo-N,2-dipyridin-2-ylisoquinoline-4-carboxamide
PubChem CID71702404
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC Name1-oxo-N,2-dipyridin-2-ylisoquinoline-4-carboxamide
SMILESO=C(Nc1ccccn1)c1cn(-c2ccccn2)c(=O)c2ccccc12
InChIInChI=1S/C20H14N4O2/c25-19(23-17-9-3-5-11-21-17)16-13-24(18-10-4-6-12-22-18)20(26)15-8-2-1-7-14(15)16/h1-13H,(H,21,23,25)
InChIKeyOOCORLMISSQOTQ-UHFFFAOYSA-N
XLogP3.03
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-N,2-dipyridin-2-ylisoquinoline-4-carboxamide?
The IUPAC name of 1-oxo-N,2-dipyridin-2-ylisoquinoline-4-carboxamide (CID 71702404) is 1-oxo-N,2-dipyridin-2-ylisoquinoline-4-carboxamide.
What is the SMILES notation for 1-oxo-N,2-dipyridin-2-ylisoquinoline-4-carboxamide?
The canonical SMILES for 1-oxo-N,2-dipyridin-2-ylisoquinoline-4-carboxamide is O=C(Nc1ccccn1)c1cn(-c2ccccn2)c(=O)c2ccccc12.
What is the InChIKey of 1-oxo-N,2-dipyridin-2-ylisoquinoline-4-carboxamide?
The InChIKey is OOCORLMISSQOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2/c25-19(23-17-9-3-5-11-21-17)16-13-24(18-10-4-6-12-22-18)20(26)15-8-2-1-7-14(15)16/h1-13H,(H,21,23,25).
What are the key properties of 1-oxo-N,2-dipyridin-2-ylisoquinoline-4-carboxamide?
1-oxo-N,2-dipyridin-2-ylisoquinoline-4-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-N,2-dipyridin-2-ylisoquinoline-4-carboxamide is sourced from PubChem (CID 71702404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).