8-[(2-amino-3-pyridinyl)methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one

C18H28N4O2 — CID 72858062

IUPAC8-[(2-amino-3-pyridinyl)methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCCCN1CC2(CCN(Cc3cccnc3N)CC2)CC1=O
InChIInChI=1S/C18H28N4O2/c1-24-11-3-8-22-14-18(12-16(22)23)5-9-21(10-6-18)13-15-4-2-7-20-17(15)19/h2,4,7H,3,5-6,8-14H2,1H3,(H2,19,20)
InChIKeyFDCALUHMKPPZJJ-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.51
Rot. Bonds6

About 8-[(2-amino-3-pyridinyl)methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one

8-[(2-amino-3-pyridinyl)methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72858062) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 8-[(2-amino-3-pyridinyl)methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[(2-amino-3-pyridinyl)methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72858062
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name8-[(2-amino-3-pyridinyl)methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCCCN1CC2(CCN(Cc3cccnc3N)CC2)CC1=O
InChIInChI=1S/C18H28N4O2/c1-24-11-3-8-22-14-18(12-16(22)23)5-9-21(10-6-18)13-15-4-2-7-20-17(15)19/h2,4,7H,3,5-6,8-14H2,1H3,(H2,19,20)
InChIKeyFDCALUHMKPPZJJ-UHFFFAOYSA-N
XLogP1.51
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-[(2-amino-3-pyridinyl)methyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72849597
8-[(2-amino-3-pyridinyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70731550
2-(3-methoxypropyl)-8-[(3-methylsulfanylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72867341
2-[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carboxamide
CID 70727411
2-(3-methoxypropyl)-9-[(4-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70778884
(3R)-1-[(2-amino-3-pyridinyl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 97122214
9-[(4-ethoxyphenyl)methyl]-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70716832
4-[[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]methyl]benzamide
CID 70773528
3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
CID 62470567
3-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]pyridin-2-amine
CID 97147788
2-(3-methoxypropyl)-9-[(3-methylsulfanylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70724783
(6R)-2-(3-methoxypropyl)-8-pyrimidin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 95867371

Frequently Asked Questions

What is the IUPAC name of 8-[(2-amino-3-pyridinyl)methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[(2-amino-3-pyridinyl)methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one (CID 72858062) is 8-[(2-amino-3-pyridinyl)methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[(2-amino-3-pyridinyl)methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[(2-amino-3-pyridinyl)methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one is COCCCN1CC2(CCN(Cc3cccnc3N)CC2)CC1=O.
What is the InChIKey of 8-[(2-amino-3-pyridinyl)methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is FDCALUHMKPPZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-24-11-3-8-22-14-18(12-16(22)23)5-9-21(10-6-18)13-15-4-2-7-20-17(15)19/h2,4,7H,3,5-6,8-14H2,1H3,(H2,19,20).
What are the key properties of 8-[(2-amino-3-pyridinyl)methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one?
8-[(2-amino-3-pyridinyl)methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 332.45 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-amino-3-pyridinyl)methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72858062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).