2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide

C12H18N2O4 — CID 16853211

IUPAC2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide
SMILESCOc1cn(CC(=O)NC(C)C)c(CO)cc1=O
InChIInChI=1S/C12H18N2O4/c1-8(2)13-12(17)6-14-5-11(18-3)10(16)4-9(14)7-15/h4-5,8,15H,6-7H2,1-3H3,(H,13,17)
InChIKeyKFHVJRNATPDCRX-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.13
Rot. Bonds5

About 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide

2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide (PubChem CID 16853211) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide
PubChem CID16853211
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide
SMILESCOc1cn(CC(=O)NC(C)C)c(CO)cc1=O
InChIInChI=1S/C12H18N2O4/c1-8(2)13-12(17)6-14-5-11(18-3)10(16)4-9(14)7-15/h4-5,8,15H,6-7H2,1-3H3,(H,13,17)
InChIKeyKFHVJRNATPDCRX-UHFFFAOYSA-N
XLogP-0.13
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide (CID 16853211) is 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide is COc1cn(CC(=O)NC(C)C)c(CO)cc1=O.
What is the InChIKey of 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide?
The InChIKey is KFHVJRNATPDCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-8(2)13-12(17)6-14-5-11(18-3)10(16)4-9(14)7-15/h4-5,8,15H,6-7H2,1-3H3,(H,13,17).
What are the key properties of 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide?
2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide has a molecular weight of 254.29 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 16853211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).