1-methyl-2-oxo-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyridine-4-carboxamide

C18H22N2O3 — CID 38557709

IUPAC1-methyl-2-oxo-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyridine-4-carboxamide
SMILESCC(C)OCc1ccccc1CNC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C18H22N2O3/c1-13(2)23-12-16-7-5-4-6-15(16)11-19-18(22)14-8-9-20(3)17(21)10-14/h4-10,13H,11-12H2,1-3H3,(H,19,22)
InChIKeyPGYPRKYQXBSOAI-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.24
Rot. Bonds6

About 1-methyl-2-oxo-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyridine-4-carboxamide

1-methyl-2-oxo-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyridine-4-carboxamide (PubChem CID 38557709) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyridine-4-carboxamide
PubChem CID38557709
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name1-methyl-2-oxo-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyridine-4-carboxamide
SMILESCC(C)OCc1ccccc1CNC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C18H22N2O3/c1-13(2)23-12-16-7-5-4-6-15(16)11-19-18(22)14-8-9-20(3)17(21)10-14/h4-10,13H,11-12H2,1-3H3,(H,19,22)
InChIKeyPGYPRKYQXBSOAI-UHFFFAOYSA-N
XLogP2.24
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyridine-4-carboxamide (CID 38557709) is 1-methyl-2-oxo-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyridine-4-carboxamide is CC(C)OCc1ccccc1CNC(=O)c1ccn(C)c(=O)c1.
What is the InChIKey of 1-methyl-2-oxo-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is PGYPRKYQXBSOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13(2)23-12-16-7-5-4-6-15(16)11-19-18(22)14-8-9-20(3)17(21)10-14/h4-10,13H,11-12H2,1-3H3,(H,19,22).
What are the key properties of 1-methyl-2-oxo-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyridine-4-carboxamide?
1-methyl-2-oxo-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 38557709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).