(3S)-N-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-7-oxaspiro[3.5]nonan-3-amine

C15H21ClN2O2 — CID 164632897

IUPAC(3S)-N-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-7-oxaspiro[3.5]nonan-3-amine
SMILESCOc1ncc(CN[C@H]2CCC23CCOCC3)cc1Cl
InChIInChI=1S/C15H21ClN2O2/c1-19-14-12(16)8-11(10-18-14)9-17-13-2-3-15(13)4-6-20-7-5-15/h8,10,13,17H,2-7,9H2,1H3/t13-/m0/s1
InChIKeyVYNPACQWRWLSPH-ZDUSSCGKSA-N
MW296.80 g/mol
LogP2.79
Rot. Bonds4

About (3S)-N-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-7-oxaspiro[3.5]nonan-3-amine

(3S)-N-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-7-oxaspiro[3.5]nonan-3-amine (PubChem CID 164632897) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is (3S)-N-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-7-oxaspiro[3.5]nonan-3-amine.

Molecular Properties

Compound Name(3S)-N-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-7-oxaspiro[3.5]nonan-3-amine
PubChem CID164632897
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name(3S)-N-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-7-oxaspiro[3.5]nonan-3-amine
SMILESCOc1ncc(CN[C@H]2CCC23CCOCC3)cc1Cl
InChIInChI=1S/C15H21ClN2O2/c1-19-14-12(16)8-11(10-18-14)9-17-13-2-3-15(13)4-6-20-7-5-15/h8,10,13,17H,2-7,9H2,1H3/t13-/m0/s1
InChIKeyVYNPACQWRWLSPH-ZDUSSCGKSA-N
XLogP2.79
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-7-oxaspiro[3.5]nonan-3-amine 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 (3S)-N-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-7-oxaspiro[3.5]nonan-3-amine?
The IUPAC name of (3S)-N-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-7-oxaspiro[3.5]nonan-3-amine (CID 164632897) is (3S)-N-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-7-oxaspiro[3.5]nonan-3-amine.
What is the SMILES notation for (3S)-N-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-7-oxaspiro[3.5]nonan-3-amine?
The canonical SMILES for (3S)-N-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-7-oxaspiro[3.5]nonan-3-amine is COc1ncc(CN[C@H]2CCC23CCOCC3)cc1Cl.
What is the InChIKey of (3S)-N-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-7-oxaspiro[3.5]nonan-3-amine?
The InChIKey is VYNPACQWRWLSPH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-19-14-12(16)8-11(10-18-14)9-17-13-2-3-15(13)4-6-20-7-5-15/h8,10,13,17H,2-7,9H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-N-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-7-oxaspiro[3.5]nonan-3-amine?
(3S)-N-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-7-oxaspiro[3.5]nonan-3-amine has a molecular weight of 296.80 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-7-oxaspiro[3.5]nonan-3-amine is sourced from PubChem (CID 164632897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).