1-(2-methoxyethyl)-5-[(5-methyl-1H-imidazol-4-yl)methylamino]pyridin-2-one

C13H18N4O2 — CID 62743398

IUPAC1-(2-methoxyethyl)-5-[(5-methyl-1H-imidazol-4-yl)methylamino]pyridin-2-one
SMILESCOCCn1cc(NCc2nc[nH]c2C)ccc1=O
InChIInChI=1S/C13H18N4O2/c1-10-12(16-9-15-10)7-14-11-3-4-13(18)17(8-11)5-6-19-2/h3-4,8-9,14H,5-7H2,1-2H3,(H,15,16)
InChIKeyAXGHISNMJFTHPQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.14
Rot. Bonds6

About 1-(2-methoxyethyl)-5-[(5-methyl-1H-imidazol-4-yl)methylamino]pyridin-2-one

1-(2-methoxyethyl)-5-[(5-methyl-1H-imidazol-4-yl)methylamino]pyridin-2-one (PubChem CID 62743398) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-[(5-methyl-1H-imidazol-4-yl)methylamino]pyridin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-[(5-methyl-1H-imidazol-4-yl)methylamino]pyridin-2-one
PubChem CID62743398
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name1-(2-methoxyethyl)-5-[(5-methyl-1H-imidazol-4-yl)methylamino]pyridin-2-one
SMILESCOCCn1cc(NCc2nc[nH]c2C)ccc1=O
InChIInChI=1S/C13H18N4O2/c1-10-12(16-9-15-10)7-14-11-3-4-13(18)17(8-11)5-6-19-2/h3-4,8-9,14H,5-7H2,1-2H3,(H,15,16)
InChIKeyAXGHISNMJFTHPQ-UHFFFAOYSA-N
XLogP1.14
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-[(5-methyl-1H-imidazol-4-yl)methylamino]pyridin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-5-[(5-methyl-1H-imidazol-4-yl)methylamino]pyridin-2-one (CID 62743398) is 1-(2-methoxyethyl)-5-[(5-methyl-1H-imidazol-4-yl)methylamino]pyridin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-5-[(5-methyl-1H-imidazol-4-yl)methylamino]pyridin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-5-[(5-methyl-1H-imidazol-4-yl)methylamino]pyridin-2-one is COCCn1cc(NCc2nc[nH]c2C)ccc1=O.
What is the InChIKey of 1-(2-methoxyethyl)-5-[(5-methyl-1H-imidazol-4-yl)methylamino]pyridin-2-one?
The InChIKey is AXGHISNMJFTHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-10-12(16-9-15-10)7-14-11-3-4-13(18)17(8-11)5-6-19-2/h3-4,8-9,14H,5-7H2,1-2H3,(H,15,16).
What are the key properties of 1-(2-methoxyethyl)-5-[(5-methyl-1H-imidazol-4-yl)methylamino]pyridin-2-one?
1-(2-methoxyethyl)-5-[(5-methyl-1H-imidazol-4-yl)methylamino]pyridin-2-one has a molecular weight of 262.31 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-[(5-methyl-1H-imidazol-4-yl)methylamino]pyridin-2-one is sourced from PubChem (CID 62743398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).