N-benzyl-N-methyl-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide

C21H20N2O3 — CID 52898389

IUPACN-benzyl-N-methyl-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc(=O)c(OCc2ccccc2)c[nH]1
InChIInChI=1S/C21H20N2O3/c1-23(14-16-8-4-2-5-9-16)21(25)18-12-19(24)20(13-22-18)26-15-17-10-6-3-7-11-17/h2-13H,14-15H2,1H3,(H,22,24)
InChIKeyNQJAUTWYXSZXSE-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.23
Rot. Bonds6

About N-benzyl-N-methyl-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide

N-benzyl-N-methyl-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide (PubChem CID 52898389) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-benzyl-N-methyl-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide
PubChem CID52898389
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-benzyl-N-methyl-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc(=O)c(OCc2ccccc2)c[nH]1
InChIInChI=1S/C21H20N2O3/c1-23(14-16-8-4-2-5-9-16)21(25)18-12-19(24)20(13-22-18)26-15-17-10-6-3-7-11-17/h2-13H,14-15H2,1H3,(H,22,24)
InChIKeyNQJAUTWYXSZXSE-UHFFFAOYSA-N
XLogP3.23
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide?
The IUPAC name of N-benzyl-N-methyl-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide (CID 52898389) is N-benzyl-N-methyl-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide is CN(Cc1ccccc1)C(=O)c1cc(=O)c(OCc2ccccc2)c[nH]1.
What is the InChIKey of N-benzyl-N-methyl-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide?
The InChIKey is NQJAUTWYXSZXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-23(14-16-8-4-2-5-9-16)21(25)18-12-19(24)20(13-22-18)26-15-17-10-6-3-7-11-17/h2-13H,14-15H2,1H3,(H,22,24).
What are the key properties of N-benzyl-N-methyl-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide?
N-benzyl-N-methyl-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide is sourced from PubChem (CID 52898389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).