6-ethyl-4-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecane-8-carbonyl]-1H-pyridin-2-one

C19H26N2O5 — CID 118766140

IUPAC6-ethyl-4-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecane-8-carbonyl]-1H-pyridin-2-one
SMILESCCc1cc(C(=O)N2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)cc(=O)[nH]1
InChIInChI=1S/C19H26N2O5/c1-2-14-7-12(8-17(22)20-14)18(23)21-9-13-10-26-6-4-19(13,24)15-11-25-5-3-16(15)21/h7-8,13,15-16,24H,2-6,9-11H2,1H3,(H,20,22)/t13-,15+,16-,19-/m0/s1
InChIKeyWPIIGCJMZNKGQN-YBKUAAOGSA-N
MW362.43 g/mol
LogP0.57
Rot. Bonds2

About 6-ethyl-4-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecane-8-carbonyl]-1H-pyridin-2-one

6-ethyl-4-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecane-8-carbonyl]-1H-pyridin-2-one (PubChem CID 118766140) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is 6-ethyl-4-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecane-8-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-ethyl-4-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecane-8-carbonyl]-1H-pyridin-2-one
PubChem CID118766140
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name6-ethyl-4-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecane-8-carbonyl]-1H-pyridin-2-one
SMILESCCc1cc(C(=O)N2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)cc(=O)[nH]1
InChIInChI=1S/C19H26N2O5/c1-2-14-7-12(8-17(22)20-14)18(23)21-9-13-10-26-6-4-19(13,24)15-11-25-5-3-16(15)21/h7-8,13,15-16,24H,2-6,9-11H2,1H3,(H,20,22)/t13-,15+,16-,19-/m0/s1
InChIKeyWPIIGCJMZNKGQN-YBKUAAOGSA-N
XLogP0.57
TPSA91.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-ethyl-4-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecane-8-carbonyl]-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecane-8-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-ethyl-4-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecane-8-carbonyl]-1H-pyridin-2-one (CID 118766140) is 6-ethyl-4-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecane-8-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-ethyl-4-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecane-8-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-ethyl-4-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecane-8-carbonyl]-1H-pyridin-2-one is CCc1cc(C(=O)N2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)cc(=O)[nH]1.
What is the InChIKey of 6-ethyl-4-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecane-8-carbonyl]-1H-pyridin-2-one?
The InChIKey is WPIIGCJMZNKGQN-YBKUAAOGSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-2-14-7-12(8-17(22)20-14)18(23)21-9-13-10-26-6-4-19(13,24)15-11-25-5-3-16(15)21/h7-8,13,15-16,24H,2-6,9-11H2,1H3,(H,20,22)/t13-,15+,16-,19-/m0/s1.
What are the key properties of 6-ethyl-4-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecane-8-carbonyl]-1H-pyridin-2-one?
6-ethyl-4-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecane-8-carbonyl]-1H-pyridin-2-one has a molecular weight of 362.43 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecane-8-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 118766140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).