(1S,5R)-7-[2-(6-methyl-2-pyridinyl)ethyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

C15H21N3O2 — CID 155916419

IUPAC(1S,5R)-7-[2-(6-methyl-2-pyridinyl)ethyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
SMILESCc1cccc(CCN2C[C@H]3COC[C@@H](C2)C(=O)N3)n1
InChIInChI=1S/C15H21N3O2/c1-11-3-2-4-13(16-11)5-6-18-7-12-9-20-10-14(8-18)17-15(12)19/h2-4,12,14H,5-10H2,1H3,(H,17,19)/t12-,14+/m1/s1
InChIKeyZNZMQKTWGWGJKI-OCCSQVGLSA-N
MW275.35 g/mol
LogP0.38
Rot. Bonds3

About (1S,5R)-7-[2-(6-methyl-2-pyridinyl)ethyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

(1S,5R)-7-[2-(6-methyl-2-pyridinyl)ethyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one (PubChem CID 155916419) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (1S,5R)-7-[2-(6-methyl-2-pyridinyl)ethyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one.

Molecular Properties

Compound Name(1S,5R)-7-[2-(6-methyl-2-pyridinyl)ethyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
PubChem CID155916419
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(1S,5R)-7-[2-(6-methyl-2-pyridinyl)ethyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
SMILESCc1cccc(CCN2C[C@H]3COC[C@@H](C2)C(=O)N3)n1
InChIInChI=1S/C15H21N3O2/c1-11-3-2-4-13(16-11)5-6-18-7-12-9-20-10-14(8-18)17-15(12)19/h2-4,12,14H,5-10H2,1H3,(H,17,19)/t12-,14+/m1/s1
InChIKeyZNZMQKTWGWGJKI-OCCSQVGLSA-N
XLogP0.38
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S,5R)-7-[2-(6-methyl-2-pyridinyl)ethyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one with MolForge

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

Launch Full Analysis

Related Compounds

(1S,5R)-7-[(6-methoxy-2-pyridinyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 155910832
1-[2-(6-methyl-2-pyridinyl)ethyl]azetidin-3-amine
CID 130815160
(1S,5R)-7-[(2,6-difluorophenyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 135091806
(1S,5R)-7-[(1-methylindol-4-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 135099797
(1S,5R)-7-[(2,4,6-trimethylphenyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 135095847
(1S,5R)-7-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 135093304
(1S,5R)-7-[[2-(benzenesulfonylmethyl)phenyl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 155919211
(3S,4S)-4-ethoxy-1-[2-(6-methyl-2-pyridinyl)ethyl]pyrrolidin-3-ol
CID 91779783
1-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine
CID 171907754
(1R,2S,6R,7S)-10-[2-(6-methyl-2-pyridinyl)ethyl]-4,10-diazatricyclo[5.2.1.02,6]decane
CID 122562078
(1S,5R)-7-[[2-(4-chlorophenyl)pyrimidin-5-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 135110178
2-[1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-4-yl]-2-oxo-N-phenylethanesulfonamide
CID 18789891

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-7-[2-(6-methyl-2-pyridinyl)ethyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one?
The IUPAC name of (1S,5R)-7-[2-(6-methyl-2-pyridinyl)ethyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one (CID 155916419) is (1S,5R)-7-[2-(6-methyl-2-pyridinyl)ethyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one.
What is the SMILES notation for (1S,5R)-7-[2-(6-methyl-2-pyridinyl)ethyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one?
The canonical SMILES for (1S,5R)-7-[2-(6-methyl-2-pyridinyl)ethyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one is Cc1cccc(CCN2C[C@H]3COC[C@@H](C2)C(=O)N3)n1.
What is the InChIKey of (1S,5R)-7-[2-(6-methyl-2-pyridinyl)ethyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one?
The InChIKey is ZNZMQKTWGWGJKI-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-3-2-4-13(16-11)5-6-18-7-12-9-20-10-14(8-18)17-15(12)19/h2-4,12,14H,5-10H2,1H3,(H,17,19)/t12-,14+/m1/s1.
What are the key properties of (1S,5R)-7-[2-(6-methyl-2-pyridinyl)ethyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one?
(1S,5R)-7-[2-(6-methyl-2-pyridinyl)ethyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one has a molecular weight of 275.35 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-7-[2-(6-methyl-2-pyridinyl)ethyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one is sourced from PubChem (CID 155916419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).