6-oxo-N-(pyridin-2-ylmethyl)-1H-pyridine-3-carboxamide

C12H11N3O2 — CID 28826030

IUPAC6-oxo-N-(pyridin-2-ylmethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H11N3O2/c16-11-5-4-9(7-14-11)12(17)15-8-10-3-1-2-6-13-10/h1-7H,8H2,(H,14,16)(H,15,17)
InChIKeyPQSHFFOFMIIUTN-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.70
Rot. Bonds3

About 6-oxo-N-(pyridin-2-ylmethyl)-1H-pyridine-3-carboxamide

6-oxo-N-(pyridin-2-ylmethyl)-1H-pyridine-3-carboxamide (PubChem CID 28826030) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 6-oxo-N-(pyridin-2-ylmethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(pyridin-2-ylmethyl)-1H-pyridine-3-carboxamide
PubChem CID28826030
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name6-oxo-N-(pyridin-2-ylmethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H11N3O2/c16-11-5-4-9(7-14-11)12(17)15-8-10-3-1-2-6-13-10/h1-7H,8H2,(H,14,16)(H,15,17)
InChIKeyPQSHFFOFMIIUTN-UHFFFAOYSA-N
XLogP0.70
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(pyridin-2-ylmethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-(pyridin-2-ylmethyl)-1H-pyridine-3-carboxamide (CID 28826030) is 6-oxo-N-(pyridin-2-ylmethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(pyridin-2-ylmethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(pyridin-2-ylmethyl)-1H-pyridine-3-carboxamide is O=C(NCc1ccccn1)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-(pyridin-2-ylmethyl)-1H-pyridine-3-carboxamide?
The InChIKey is PQSHFFOFMIIUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c16-11-5-4-9(7-14-11)12(17)15-8-10-3-1-2-6-13-10/h1-7H,8H2,(H,14,16)(H,15,17).
What are the key properties of 6-oxo-N-(pyridin-2-ylmethyl)-1H-pyridine-3-carboxamide?
6-oxo-N-(pyridin-2-ylmethyl)-1H-pyridine-3-carboxamide has a molecular weight of 229.24 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(pyridin-2-ylmethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 28826030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).