N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide

C19H22N2O4 — CID 56787251

IUPACN-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCc1cccc(COC2CCOCC2)c1)c1ccc[nH]c1=O
InChIInChI=1S/C19H22N2O4/c22-18-17(5-2-8-20-18)19(23)21-12-14-3-1-4-15(11-14)13-25-16-6-9-24-10-7-16/h1-5,8,11,16H,6-7,9-10,12-13H2,(H,20,22)(H,21,23)
InChIKeyBTKXXMXGTZFHTL-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.00
Rot. Bonds6

About N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide

N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 56787251) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID56787251
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCc1cccc(COC2CCOCC2)c1)c1ccc[nH]c1=O
InChIInChI=1S/C19H22N2O4/c22-18-17(5-2-8-20-18)19(23)21-12-14-3-1-4-15(11-14)13-25-16-6-9-24-10-7-16/h1-5,8,11,16H,6-7,9-10,12-13H2,(H,20,22)(H,21,23)
InChIKeyBTKXXMXGTZFHTL-UHFFFAOYSA-N
XLogP2.00
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(ethoxymethyl)phenyl]methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 37357721
1-methyl-2-oxo-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 38557709
2-oxo-N-[3-(1-phenylethoxy)propyl]-1H-pyridine-3-carboxamide
CID 42883825
6-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 71993202
3-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyridin-2-one
CID 22678316
3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-methylphenyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 87787987
2-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 24599022
N-[[3-(ethoxymethyl)phenyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 51123932
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 55693527
1-benzyl-2-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 56102114
4-fluoro-N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]benzamide
CID 56786732
3-fluoro-N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]benzamide
CID 60291631

Frequently Asked Questions

What is the IUPAC name of N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 56787251) is N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide is O=C(NCc1cccc(COC2CCOCC2)c1)c1ccc[nH]c1=O.
What is the InChIKey of N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is BTKXXMXGTZFHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c22-18-17(5-2-8-20-18)19(23)21-12-14-3-1-4-15(11-14)13-25-16-6-9-24-10-7-16/h1-5,8,11,16H,6-7,9-10,12-13H2,(H,20,22)(H,21,23).
What are the key properties of N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56787251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).