N-[[4-(ethoxymethyl)phenyl]methyl]-1-methyl-2-oxopyridine-4-carboxamide

C17H20N2O3 — CID 37357721

IUPACN-[[4-(ethoxymethyl)phenyl]methyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCCOCc1ccc(CNC(=O)c2ccn(C)c(=O)c2)cc1
InChIInChI=1S/C17H20N2O3/c1-3-22-12-14-6-4-13(5-7-14)11-18-17(21)15-8-9-19(2)16(20)10-15/h4-10H,3,11-12H2,1-2H3,(H,18,21)
InChIKeyXULKRPMIKKRGQM-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.85
Rot. Bonds6

About N-[[4-(ethoxymethyl)phenyl]methyl]-1-methyl-2-oxopyridine-4-carboxamide

N-[[4-(ethoxymethyl)phenyl]methyl]-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 37357721) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[[4-(ethoxymethyl)phenyl]methyl]-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(ethoxymethyl)phenyl]methyl]-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID37357721
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[[4-(ethoxymethyl)phenyl]methyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCCOCc1ccc(CNC(=O)c2ccn(C)c(=O)c2)cc1
InChIInChI=1S/C17H20N2O3/c1-3-22-12-14-6-4-13(5-7-14)11-18-17(21)15-8-9-19(2)16(20)10-15/h4-10H,3,11-12H2,1-2H3,(H,18,21)
InChIKeyXULKRPMIKKRGQM-UHFFFAOYSA-N
XLogP1.85
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethoxymethyl)phenyl]methyl]-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[[4-(ethoxymethyl)phenyl]methyl]-1-methyl-2-oxopyridine-4-carboxamide (CID 37357721) is N-[[4-(ethoxymethyl)phenyl]methyl]-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[[4-(ethoxymethyl)phenyl]methyl]-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[[4-(ethoxymethyl)phenyl]methyl]-1-methyl-2-oxopyridine-4-carboxamide is CCOCc1ccc(CNC(=O)c2ccn(C)c(=O)c2)cc1.
What is the InChIKey of N-[[4-(ethoxymethyl)phenyl]methyl]-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is XULKRPMIKKRGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-3-22-12-14-6-4-13(5-7-14)11-18-17(21)15-8-9-19(2)16(20)10-15/h4-10H,3,11-12H2,1-2H3,(H,18,21).
What are the key properties of N-[[4-(ethoxymethyl)phenyl]methyl]-1-methyl-2-oxopyridine-4-carboxamide?
N-[[4-(ethoxymethyl)phenyl]methyl]-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethoxymethyl)phenyl]methyl]-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 37357721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).