1-ethyl-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4,6-dimethyl-2-oxopyridine-3-carboxamide

C18H26N2O4 — CID 91760552

IUPAC1-ethyl-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4,6-dimethyl-2-oxopyridine-3-carboxamide
SMILESCCn1c(C)cc(C)c(C(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@H]2COC)c1=O
InChIInChI=1S/C18H26N2O4/c1-5-20-11(3)8-10(2)14(18(20)22)17(21)19-15-12-6-7-24-16(12)13(15)9-23-4/h8,12-13,15-16H,5-7,9H2,1-4H3,(H,19,21)/t12-,13-,15-,16-/m0/s1
InChIKeyAJHXZSFXYTVQMY-SDADXPQNSA-N
MW334.42 g/mol
LogP1.26
Rot. Bonds5

About 1-ethyl-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4,6-dimethyl-2-oxopyridine-3-carboxamide

1-ethyl-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4,6-dimethyl-2-oxopyridine-3-carboxamide (PubChem CID 91760552) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-ethyl-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4,6-dimethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4,6-dimethyl-2-oxopyridine-3-carboxamide
PubChem CID91760552
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name1-ethyl-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4,6-dimethyl-2-oxopyridine-3-carboxamide
SMILESCCn1c(C)cc(C)c(C(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@H]2COC)c1=O
InChIInChI=1S/C18H26N2O4/c1-5-20-11(3)8-10(2)14(18(20)22)17(21)19-15-12-6-7-24-16(12)13(15)9-23-4/h8,12-13,15-16H,5-7,9H2,1-4H3,(H,19,21)/t12-,13-,15-,16-/m0/s1
InChIKeyAJHXZSFXYTVQMY-SDADXPQNSA-N
XLogP1.26
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4,6-dimethyl-2-oxopyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4,6-dimethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-ethyl-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4,6-dimethyl-2-oxopyridine-3-carboxamide (CID 91760552) is 1-ethyl-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4,6-dimethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4,6-dimethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4,6-dimethyl-2-oxopyridine-3-carboxamide is CCn1c(C)cc(C)c(C(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@H]2COC)c1=O.
What is the InChIKey of 1-ethyl-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4,6-dimethyl-2-oxopyridine-3-carboxamide?
The InChIKey is AJHXZSFXYTVQMY-SDADXPQNSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-5-20-11(3)8-10(2)14(18(20)22)17(21)19-15-12-6-7-24-16(12)13(15)9-23-4/h8,12-13,15-16H,5-7,9H2,1-4H3,(H,19,21)/t12-,13-,15-,16-/m0/s1.
What are the key properties of 1-ethyl-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4,6-dimethyl-2-oxopyridine-3-carboxamide?
1-ethyl-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4,6-dimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4,6-dimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 91760552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).