(5R,9R)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine

C20H26N4O2 — CID 97475999

IUPAC(5R,9R)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
SMILESCOc1ncccc1CN1CC[C@@]2(C[C@H](Nc3ccccn3)CCO2)C1
InChIInChI=1S/C20H26N4O2/c1-25-19-16(5-4-10-22-19)14-24-11-8-20(15-24)13-17(7-12-26-20)23-18-6-2-3-9-21-18/h2-6,9-10,17H,7-8,11-15H2,1H3,(H,21,23)/t17-,20-/m1/s1
InChIKeyWZBXHANKPGCYTK-YLJYHZDGSA-N
MW354.45 g/mol
LogP2.72
Rot. Bonds5

About (5R,9R)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine

(5R,9R)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine (PubChem CID 97475999) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (5R,9R)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine.

Molecular Properties

Compound Name(5R,9R)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
PubChem CID97475999
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name(5R,9R)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
SMILESCOc1ncccc1CN1CC[C@@]2(C[C@H](Nc3ccccn3)CCO2)C1
InChIInChI=1S/C20H26N4O2/c1-25-19-16(5-4-10-22-19)14-24-11-8-20(15-24)13-17(7-12-26-20)23-18-6-2-3-9-21-18/h2-6,9-10,17H,7-8,11-15H2,1H3,(H,21,23)/t17-,20-/m1/s1
InChIKeyWZBXHANKPGCYTK-YLJYHZDGSA-N
XLogP2.72
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

(5R,9R)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 97474145
(5R,9S)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine;bis(2,2,2-trifluoroacetic acid)
CID 171695653
(5R,9R)-2-(cyclopropylmethyl)-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 97477327
(5S,9S)-2-(cyclopropylmethyl)-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 124910174
(5R,9R)-N-pyridin-2-yl-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 97475455
7-[(2-methoxy-3-pyridinyl)methyl]-3-phenoxy-1-oxa-7-azaspiro[4.4]nonane
CID 134071071
(5R,9S)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine;bis(2,2,2-trifluoroacetic acid)
CID 155847801
(5R,9R)-N-pyridin-2-yl-2-(thiophen-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-amine;bis(2,2,2-trifluoroacetic acid)
CID 155846143
(2-methylpyrazol-3-yl)-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 97477782
8-(2-methoxyethyl)-2-[(2-methoxy-3-pyridinyl)methyl]-5-oxa-2-azaspiro[3.5]nonane
CID 131651440
phenyl-[(5S,9S)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 124803332
[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 131689946

Frequently Asked Questions

What is the IUPAC name of (5R,9R)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine?
The IUPAC name of (5R,9R)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine (CID 97475999) is (5R,9R)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine.
What is the SMILES notation for (5R,9R)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine?
The canonical SMILES for (5R,9R)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine is COc1ncccc1CN1CC[C@@]2(C[C@H](Nc3ccccn3)CCO2)C1.
What is the InChIKey of (5R,9R)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine?
The InChIKey is WZBXHANKPGCYTK-YLJYHZDGSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-25-19-16(5-4-10-22-19)14-24-11-8-20(15-24)13-17(7-12-26-20)23-18-6-2-3-9-21-18/h2-6,9-10,17H,7-8,11-15H2,1H3,(H,21,23)/t17-,20-/m1/s1.
What are the key properties of (5R,9R)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine?
(5R,9R)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine has a molecular weight of 354.45 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9R)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine is sourced from PubChem (CID 97475999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).