3-amino-1-[(6-methoxy-2-pyridinyl)methyl]pyridin-2-one

C12H13N3O2 — CID 63986077

IUPAC3-amino-1-[(6-methoxy-2-pyridinyl)methyl]pyridin-2-one
SMILESCOc1cccc(Cn2cccc(N)c2=O)n1
InChIInChI=1S/C12H13N3O2/c1-17-11-6-2-4-9(14-11)8-15-7-3-5-10(13)12(15)16/h2-7H,8,13H2,1H3
InChIKeyUOGJFASUAGKLKZ-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.88
Rot. Bonds3

About 3-amino-1-[(6-methoxy-2-pyridinyl)methyl]pyridin-2-one

3-amino-1-[(6-methoxy-2-pyridinyl)methyl]pyridin-2-one (PubChem CID 63986077) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 3-amino-1-[(6-methoxy-2-pyridinyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[(6-methoxy-2-pyridinyl)methyl]pyridin-2-one
PubChem CID63986077
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name3-amino-1-[(6-methoxy-2-pyridinyl)methyl]pyridin-2-one
SMILESCOc1cccc(Cn2cccc(N)c2=O)n1
InChIInChI=1S/C12H13N3O2/c1-17-11-6-2-4-9(14-11)8-15-7-3-5-10(13)12(15)16/h2-7H,8,13H2,1H3
InChIKeyUOGJFASUAGKLKZ-UHFFFAOYSA-N
XLogP0.88
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(6-methoxy-2-pyridinyl)methyl]pyridin-2-one?
The IUPAC name of 3-amino-1-[(6-methoxy-2-pyridinyl)methyl]pyridin-2-one (CID 63986077) is 3-amino-1-[(6-methoxy-2-pyridinyl)methyl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[(6-methoxy-2-pyridinyl)methyl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[(6-methoxy-2-pyridinyl)methyl]pyridin-2-one is COc1cccc(Cn2cccc(N)c2=O)n1.
What is the InChIKey of 3-amino-1-[(6-methoxy-2-pyridinyl)methyl]pyridin-2-one?
The InChIKey is UOGJFASUAGKLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-17-11-6-2-4-9(14-11)8-15-7-3-5-10(13)12(15)16/h2-7H,8,13H2,1H3.
What are the key properties of 3-amino-1-[(6-methoxy-2-pyridinyl)methyl]pyridin-2-one?
3-amino-1-[(6-methoxy-2-pyridinyl)methyl]pyridin-2-one has a molecular weight of 231.26 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(6-methoxy-2-pyridinyl)methyl]pyridin-2-one is sourced from PubChem (CID 63986077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).