1-methyl-5-[(3-methylimidazol-4-yl)methylamino]pyridin-2-one

C11H14N4O — CID 66116442

IUPAC1-methyl-5-[(3-methylimidazol-4-yl)methylamino]pyridin-2-one
SMILESCn1cncc1CNc1ccc(=O)n(C)c1
InChIInChI=1S/C11H14N4O/c1-14-7-9(3-4-11(14)16)13-6-10-5-12-8-15(10)2/h3-5,7-8,13H,6H2,1-2H3
InChIKeyJXEIBWPTMCPHRE-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.73
Rot. Bonds3

About 1-methyl-5-[(3-methylimidazol-4-yl)methylamino]pyridin-2-one

1-methyl-5-[(3-methylimidazol-4-yl)methylamino]pyridin-2-one (PubChem CID 66116442) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-methyl-5-[(3-methylimidazol-4-yl)methylamino]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[(3-methylimidazol-4-yl)methylamino]pyridin-2-one
PubChem CID66116442
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name1-methyl-5-[(3-methylimidazol-4-yl)methylamino]pyridin-2-one
SMILESCn1cncc1CNc1ccc(=O)n(C)c1
InChIInChI=1S/C11H14N4O/c1-14-7-9(3-4-11(14)16)13-6-10-5-12-8-15(10)2/h3-5,7-8,13H,6H2,1-2H3
InChIKeyJXEIBWPTMCPHRE-UHFFFAOYSA-N
XLogP0.73
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(3-methylimidazol-4-yl)methylamino]pyridin-2-one?
The IUPAC name of 1-methyl-5-[(3-methylimidazol-4-yl)methylamino]pyridin-2-one (CID 66116442) is 1-methyl-5-[(3-methylimidazol-4-yl)methylamino]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[(3-methylimidazol-4-yl)methylamino]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[(3-methylimidazol-4-yl)methylamino]pyridin-2-one is Cn1cncc1CNc1ccc(=O)n(C)c1.
What is the InChIKey of 1-methyl-5-[(3-methylimidazol-4-yl)methylamino]pyridin-2-one?
The InChIKey is JXEIBWPTMCPHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-14-7-9(3-4-11(14)16)13-6-10-5-12-8-15(10)2/h3-5,7-8,13H,6H2,1-2H3.
What are the key properties of 1-methyl-5-[(3-methylimidazol-4-yl)methylamino]pyridin-2-one?
1-methyl-5-[(3-methylimidazol-4-yl)methylamino]pyridin-2-one has a molecular weight of 218.26 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(3-methylimidazol-4-yl)methylamino]pyridin-2-one is sourced from PubChem (CID 66116442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).