N-(2-ethoxy-2-phenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide

C21H27N3O4 — CID 164609717

IUPACN-(2-ethoxy-2-phenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide
SMILESCCOC(CN(CC(=O)NC)C(=O)c1cc(C)c(=O)n(C)c1)c1ccccc1
InChIInChI=1S/C21H27N3O4/c1-5-28-18(16-9-7-6-8-10-16)13-24(14-19(25)22-3)21(27)17-11-15(2)20(26)23(4)12-17/h6-12,18H,5,13-14H2,1-4H3,(H,22,25)
InChIKeyBYFDWGSKBGBYRX-UHFFFAOYSA-N
MW385.46 g/mol
LogP1.66
Rot. Bonds8

About N-(2-ethoxy-2-phenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide

N-(2-ethoxy-2-phenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide (PubChem CID 164609717) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-(2-ethoxy-2-phenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxy-2-phenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide
PubChem CID164609717
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-(2-ethoxy-2-phenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide
SMILESCCOC(CN(CC(=O)NC)C(=O)c1cc(C)c(=O)n(C)c1)c1ccccc1
InChIInChI=1S/C21H27N3O4/c1-5-28-18(16-9-7-6-8-10-16)13-24(14-19(25)22-3)21(27)17-11-15(2)20(26)23(4)12-17/h6-12,18H,5,13-14H2,1-4H3,(H,22,25)
InChIKeyBYFDWGSKBGBYRX-UHFFFAOYSA-N
XLogP1.66
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-2-phenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of N-(2-ethoxy-2-phenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide (CID 164609717) is N-(2-ethoxy-2-phenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(2-ethoxy-2-phenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-(2-ethoxy-2-phenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide is CCOC(CN(CC(=O)NC)C(=O)c1cc(C)c(=O)n(C)c1)c1ccccc1.
What is the InChIKey of N-(2-ethoxy-2-phenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide?
The InChIKey is BYFDWGSKBGBYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-5-28-18(16-9-7-6-8-10-16)13-24(14-19(25)22-3)21(27)17-11-15(2)20(26)23(4)12-17/h6-12,18H,5,13-14H2,1-4H3,(H,22,25).
What are the key properties of N-(2-ethoxy-2-phenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide?
N-(2-ethoxy-2-phenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-2-phenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 164609717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).