1-ethyl-6-methyl-3-[(1R,2S,8S,9S)-8-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]pyridin-2-one

C23H35N3O2 — CID 165424834

IUPAC1-ethyl-6-methyl-3-[(1R,2S,8S,9S)-8-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]pyridin-2-one
SMILESCCC[C@H]1[C@H]2C[C@H](CN(C(=O)c3ccc(C)n(CC)c3=O)C2)[C@@H]2CCCCN21
InChIInChI=1S/C23H35N3O2/c1-4-8-20-17-13-18(21-9-6-7-12-26(20)21)15-24(14-17)22(27)19-11-10-16(3)25(5-2)23(19)28/h10-11,17-18,20-21H,4-9,12-15H2,1-3H3/t17-,18+,20-,21-/m0/s1
InChIKeyCOYJOHPMMMKVAB-YHELAOLJSA-N
MW385.55 g/mol
LogP3.29
Rot. Bonds4

About 1-ethyl-6-methyl-3-[(1R,2S,8S,9S)-8-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]pyridin-2-one

1-ethyl-6-methyl-3-[(1R,2S,8S,9S)-8-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]pyridin-2-one (PubChem CID 165424834) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is 1-ethyl-6-methyl-3-[(1R,2S,8S,9S)-8-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-6-methyl-3-[(1R,2S,8S,9S)-8-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]pyridin-2-one
PubChem CID165424834
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name1-ethyl-6-methyl-3-[(1R,2S,8S,9S)-8-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]pyridin-2-one
SMILESCCC[C@H]1[C@H]2C[C@H](CN(C(=O)c3ccc(C)n(CC)c3=O)C2)[C@@H]2CCCCN21
InChIInChI=1S/C23H35N3O2/c1-4-8-20-17-13-18(21-9-6-7-12-26(20)21)15-24(14-17)22(27)19-11-10-16(3)25(5-2)23(19)28/h10-11,17-18,20-21H,4-9,12-15H2,1-3H3/t17-,18+,20-,21-/m0/s1
InChIKeyCOYJOHPMMMKVAB-YHELAOLJSA-N
XLogP3.29
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-6-methyl-3-[(1R,2S,8S,9S)-8-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methyl-3-[(1R,2S,8S,9S)-8-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]pyridin-2-one?
The IUPAC name of 1-ethyl-6-methyl-3-[(1R,2S,8S,9S)-8-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]pyridin-2-one (CID 165424834) is 1-ethyl-6-methyl-3-[(1R,2S,8S,9S)-8-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-ethyl-6-methyl-3-[(1R,2S,8S,9S)-8-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]pyridin-2-one?
The canonical SMILES for 1-ethyl-6-methyl-3-[(1R,2S,8S,9S)-8-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]pyridin-2-one is CCC[C@H]1[C@H]2C[C@H](CN(C(=O)c3ccc(C)n(CC)c3=O)C2)[C@@H]2CCCCN21.
What is the InChIKey of 1-ethyl-6-methyl-3-[(1R,2S,8S,9S)-8-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]pyridin-2-one?
The InChIKey is COYJOHPMMMKVAB-YHELAOLJSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-4-8-20-17-13-18(21-9-6-7-12-26(20)21)15-24(14-17)22(27)19-11-10-16(3)25(5-2)23(19)28/h10-11,17-18,20-21H,4-9,12-15H2,1-3H3/t17-,18+,20-,21-/m0/s1.
What are the key properties of 1-ethyl-6-methyl-3-[(1R,2S,8S,9S)-8-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]pyridin-2-one?
1-ethyl-6-methyl-3-[(1R,2S,8S,9S)-8-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]pyridin-2-one has a molecular weight of 385.55 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methyl-3-[(1R,2S,8S,9S)-8-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]pyridin-2-one is sourced from PubChem (CID 165424834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).