(11S)-11-[methyl(pyridin-3-ylmethyl)amino]pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one

C18H20N2O — CID 73355416

IUPAC(11S)-11-[methyl(pyridin-3-ylmethyl)amino]pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one
SMILESCN(Cc1cccnc1)C1C2C3CC4C2C(=O)C2C4C3C21
InChIInChI=1S/C18H20N2O/c1-20(7-8-3-2-4-19-6-8)17-13-9-5-10-12-11(9)15(17)16(12)18(21)14(10)13/h2-4,6,9-17H,5,7H2,1H3
InChIKeyLKFSLMWAVKMONG-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.84
Rot. Bonds3

About (11S)-11-[methyl(pyridin-3-ylmethyl)amino]pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one

(11S)-11-[methyl(pyridin-3-ylmethyl)amino]pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one (PubChem CID 73355416) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (11S)-11-[methyl(pyridin-3-ylmethyl)amino]pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one.

Molecular Properties

Compound Name(11S)-11-[methyl(pyridin-3-ylmethyl)amino]pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one
PubChem CID73355416
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(11S)-11-[methyl(pyridin-3-ylmethyl)amino]pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one
SMILESCN(Cc1cccnc1)C1C2C3CC4C2C(=O)C2C4C3C21
InChIInChI=1S/C18H20N2O/c1-20(7-8-3-2-4-19-6-8)17-13-9-5-10-12-11(9)15(17)16(12)18(21)14(10)13/h2-4,6,9-17H,5,7H2,1H3
InChIKeyLKFSLMWAVKMONG-UHFFFAOYSA-N
XLogP1.84
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (11S)-11-[methyl(pyridin-3-ylmethyl)amino]pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-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

N,4-dimethyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane;methane
CID 161242864
trans-(1R,3R)-N-methyl-3-methylsulfanyl-N-(pyridin-3-ylmethyl)cyclopentan-1-amine
CID 99106803
2-N,3,5-trimethyl-2-N-(pyridin-3-ylmethyl)cyclohexane-1,2-diamine
CID 64722799
CID 174532487
CID 174532487
4-[methyl(pyridin-3-ylmethyl)amino]cyclohexane-1-carbonitrile
CID 115150222
4-[methyl(pyridin-3-ylmethyl)amino]pyrrolidin-3-ol
CID 63701594
N-methyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 58150961
4-N-ethyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 79116173
4-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 54928175
N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 43563175
ethane;(E)-N-methyl-N-(pyridin-3-ylmethyl)but-2-en-2-amine
CID 91227633
N-(pyridin-3-ylmethyl)propanehydrazide
CID 70312825

Frequently Asked Questions

What is the IUPAC name of (11S)-11-[methyl(pyridin-3-ylmethyl)amino]pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one?
The IUPAC name of (11S)-11-[methyl(pyridin-3-ylmethyl)amino]pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one (CID 73355416) is (11S)-11-[methyl(pyridin-3-ylmethyl)amino]pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one.
What is the SMILES notation for (11S)-11-[methyl(pyridin-3-ylmethyl)amino]pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one?
The canonical SMILES for (11S)-11-[methyl(pyridin-3-ylmethyl)amino]pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one is CN(Cc1cccnc1)C1C2C3CC4C2C(=O)C2C4C3C21.
What is the InChIKey of (11S)-11-[methyl(pyridin-3-ylmethyl)amino]pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one?
The InChIKey is LKFSLMWAVKMONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-20(7-8-3-2-4-19-6-8)17-13-9-5-10-12-11(9)15(17)16(12)18(21)14(10)13/h2-4,6,9-17H,5,7H2,1H3.
What are the key properties of (11S)-11-[methyl(pyridin-3-ylmethyl)amino]pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one?
(11S)-11-[methyl(pyridin-3-ylmethyl)amino]pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one has a molecular weight of 280.37 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (11S)-11-[methyl(pyridin-3-ylmethyl)amino]pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one is sourced from PubChem (CID 73355416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).