6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-pyridin-2-ylpyridin-2-amine;hydrochloride

C19H25ClN4O — CID 171687499

IUPAC6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-pyridin-2-ylpyridin-2-amine;hydrochloride
SMILESCl.c1ccc(Nc2cccc(CC3COC4(CCNCC4)C3)n2)nc1
InChIInChI=1S/C19H24N4O.ClH/c1-2-9-21-17(5-1)23-18-6-3-4-16(22-18)12-15-13-19(24-14-15)7-10-20-11-8-19;/h1-6,9,15,20H,7-8,10-14H2,(H,21,22,23);1H
InChIKeyBHRIMGONHKWFGO-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.34
Rot. Bonds4

About 6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-pyridin-2-ylpyridin-2-amine;hydrochloride

6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-pyridin-2-ylpyridin-2-amine;hydrochloride (PubChem CID 171687499) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is 6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-pyridin-2-ylpyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-pyridin-2-ylpyridin-2-amine;hydrochloride
PubChem CID171687499
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-pyridin-2-ylpyridin-2-amine;hydrochloride
SMILESCl.c1ccc(Nc2cccc(CC3COC4(CCNCC4)C3)n2)nc1
InChIInChI=1S/C19H24N4O.ClH/c1-2-9-21-17(5-1)23-18-6-3-4-16(22-18)12-15-13-19(24-14-15)7-10-20-11-8-19;/h1-6,9,15,20H,7-8,10-14H2,(H,21,22,23);1H
InChIKeyBHRIMGONHKWFGO-UHFFFAOYSA-N
XLogP3.34
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-pyridin-2-ylpyridin-2-amine;hydrochloride with MolForge

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Related Compounds

(3R)-3-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 124640971
5-(4-fluorophenyl)-N-[6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine
CID 71479429
(3R)-3-(quinolin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 124971681
(3R)-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 124978658
3-[[6-(5,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane
CID 155986724
(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane
CID 124977238
(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane
CID 124977237
3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane
CID 110131042
N-pyridin-2-ylpyridin-2-amine;hydrochloride
CID 517616
5-methyl-N-[6-(piperidin-4-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine
CID 155906903
6-[[1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]-N-pyridin-2-ylpyridin-2-amine
CID 175659323
3-[(4-chlorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 73439149

Frequently Asked Questions

What is the IUPAC name of 6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-pyridin-2-ylpyridin-2-amine;hydrochloride?
The IUPAC name of 6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-pyridin-2-ylpyridin-2-amine;hydrochloride (CID 171687499) is 6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-pyridin-2-ylpyridin-2-amine;hydrochloride.
What is the SMILES notation for 6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-pyridin-2-ylpyridin-2-amine;hydrochloride?
The canonical SMILES for 6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-pyridin-2-ylpyridin-2-amine;hydrochloride is Cl.c1ccc(Nc2cccc(CC3COC4(CCNCC4)C3)n2)nc1.
What is the InChIKey of 6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-pyridin-2-ylpyridin-2-amine;hydrochloride?
The InChIKey is BHRIMGONHKWFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O.ClH/c1-2-9-21-17(5-1)23-18-6-3-4-16(22-18)12-15-13-19(24-14-15)7-10-20-11-8-19;/h1-6,9,15,20H,7-8,10-14H2,(H,21,22,23);1H.
What are the key properties of 6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-pyridin-2-ylpyridin-2-amine;hydrochloride?
6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-pyridin-2-ylpyridin-2-amine;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-pyridin-2-ylpyridin-2-amine;hydrochloride is sourced from PubChem (CID 171687499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).