cyclohexyl-[3-[methyl(pyridin-3-ylmethyl)amino]azetidin-1-yl]methanone

C17H25N3O — CID 110194780

IUPACcyclohexyl-[3-[methyl(pyridin-3-ylmethyl)amino]azetidin-1-yl]methanone
SMILESCN(Cc1cccnc1)C1CN(C(=O)C2CCCCC2)C1
InChIInChI=1S/C17H25N3O/c1-19(11-14-6-5-9-18-10-14)16-12-20(13-16)17(21)15-7-3-2-4-8-15/h5-6,9-10,15-16H,2-4,7-8,11-13H2,1H3
InChIKeySXFYFSRWLCYTAP-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.30
Rot. Bonds4

About cyclohexyl-[3-[methyl(pyridin-3-ylmethyl)amino]azetidin-1-yl]methanone

cyclohexyl-[3-[methyl(pyridin-3-ylmethyl)amino]azetidin-1-yl]methanone (PubChem CID 110194780) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is cyclohexyl-[3-[methyl(pyridin-3-ylmethyl)amino]azetidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[3-[methyl(pyridin-3-ylmethyl)amino]azetidin-1-yl]methanone
PubChem CID110194780
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Namecyclohexyl-[3-[methyl(pyridin-3-ylmethyl)amino]azetidin-1-yl]methanone
SMILESCN(Cc1cccnc1)C1CN(C(=O)C2CCCCC2)C1
InChIInChI=1S/C17H25N3O/c1-19(11-14-6-5-9-18-10-14)16-12-20(13-16)17(21)15-7-3-2-4-8-15/h5-6,9-10,15-16H,2-4,7-8,11-13H2,1H3
InChIKeySXFYFSRWLCYTAP-UHFFFAOYSA-N
XLogP2.30
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(+-)-Cotinine
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Disopyramide, (R)-
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R-(+)-Cotinine
CID 21907
Ro 23-7637
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N-Acetylnornicotine
CID 165384
Disopyramide, (S)-
CID 156295
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CID 9798888
Sdm-8
CID 138106851

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-[methyl(pyridin-3-ylmethyl)amino]azetidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[3-[methyl(pyridin-3-ylmethyl)amino]azetidin-1-yl]methanone (CID 110194780) is cyclohexyl-[3-[methyl(pyridin-3-ylmethyl)amino]azetidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[3-[methyl(pyridin-3-ylmethyl)amino]azetidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[3-[methyl(pyridin-3-ylmethyl)amino]azetidin-1-yl]methanone is CN(Cc1cccnc1)C1CN(C(=O)C2CCCCC2)C1.
What is the InChIKey of cyclohexyl-[3-[methyl(pyridin-3-ylmethyl)amino]azetidin-1-yl]methanone?
The InChIKey is SXFYFSRWLCYTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-19(11-14-6-5-9-18-10-14)16-12-20(13-16)17(21)15-7-3-2-4-8-15/h5-6,9-10,15-16H,2-4,7-8,11-13H2,1H3.
What are the key properties of cyclohexyl-[3-[methyl(pyridin-3-ylmethyl)amino]azetidin-1-yl]methanone?
cyclohexyl-[3-[methyl(pyridin-3-ylmethyl)amino]azetidin-1-yl]methanone has a molecular weight of 287.41 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-[methyl(pyridin-3-ylmethyl)amino]azetidin-1-yl]methanone is sourced from PubChem (CID 110194780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).