N-[(4-oxo-6-pyridin-2-yl-1H-pyridin-2-yl)methyl]acetamide

C13H13N3O2 — CID 53484027

IUPACN-[(4-oxo-6-pyridin-2-yl-1H-pyridin-2-yl)methyl]acetamide
SMILESCC(=O)NCc1cc(=O)cc(-c2ccccn2)[nH]1
InChIInChI=1S/C13H13N3O2/c1-9(17)15-8-10-6-11(18)7-13(16-10)12-4-2-3-5-14-12/h2-7H,8H2,1H3,(H,15,17)(H,16,18)
InChIKeyIXDVQWRMMLGZLB-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.07
Rot. Bonds3

About N-[(4-oxo-6-pyridin-2-yl-1H-pyridin-2-yl)methyl]acetamide

N-[(4-oxo-6-pyridin-2-yl-1H-pyridin-2-yl)methyl]acetamide (PubChem CID 53484027) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-[(4-oxo-6-pyridin-2-yl-1H-pyridin-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-oxo-6-pyridin-2-yl-1H-pyridin-2-yl)methyl]acetamide
PubChem CID53484027
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-[(4-oxo-6-pyridin-2-yl-1H-pyridin-2-yl)methyl]acetamide
SMILESCC(=O)NCc1cc(=O)cc(-c2ccccn2)[nH]1
InChIInChI=1S/C13H13N3O2/c1-9(17)15-8-10-6-11(18)7-13(16-10)12-4-2-3-5-14-12/h2-7H,8H2,1H3,(H,15,17)(H,16,18)
InChIKeyIXDVQWRMMLGZLB-UHFFFAOYSA-N
XLogP1.07
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-oxo-6-pyridin-2-yl-1H-pyridin-2-yl)methyl]acetamide?
The IUPAC name of N-[(4-oxo-6-pyridin-2-yl-1H-pyridin-2-yl)methyl]acetamide (CID 53484027) is N-[(4-oxo-6-pyridin-2-yl-1H-pyridin-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(4-oxo-6-pyridin-2-yl-1H-pyridin-2-yl)methyl]acetamide?
The canonical SMILES for N-[(4-oxo-6-pyridin-2-yl-1H-pyridin-2-yl)methyl]acetamide is CC(=O)NCc1cc(=O)cc(-c2ccccn2)[nH]1.
What is the InChIKey of N-[(4-oxo-6-pyridin-2-yl-1H-pyridin-2-yl)methyl]acetamide?
The InChIKey is IXDVQWRMMLGZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-9(17)15-8-10-6-11(18)7-13(16-10)12-4-2-3-5-14-12/h2-7H,8H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[(4-oxo-6-pyridin-2-yl-1H-pyridin-2-yl)methyl]acetamide?
N-[(4-oxo-6-pyridin-2-yl-1H-pyridin-2-yl)methyl]acetamide has a molecular weight of 243.27 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-oxo-6-pyridin-2-yl-1H-pyridin-2-yl)methyl]acetamide is sourced from PubChem (CID 53484027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).