[(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-pyridin-4-ylmethanone

C20H25N3O2 — CID 97374844

IUPAC[(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-pyridin-4-ylmethanone
SMILESCN(Cc1ccco1)[C@H]1CCC12CCN(C(=O)c1ccncc1)CC2
InChIInChI=1S/C20H25N3O2/c1-22(15-17-3-2-14-25-17)18-4-7-20(18)8-12-23(13-9-20)19(24)16-5-10-21-11-6-16/h2-3,5-6,10-11,14,18H,4,7-9,12-13,15H2,1H3/t18-/m0/s1
InChIKeyGUFRILJGXZFMLA-SFHVURJKSA-N
MW339.44 g/mol
LogP3.19
Rot. Bonds4

About [(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-pyridin-4-ylmethanone

[(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-pyridin-4-ylmethanone (PubChem CID 97374844) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is [(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-pyridin-4-ylmethanone
PubChem CID97374844
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name[(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-pyridin-4-ylmethanone
SMILESCN(Cc1ccco1)[C@H]1CCC12CCN(C(=O)c1ccncc1)CC2
InChIInChI=1S/C20H25N3O2/c1-22(15-17-3-2-14-25-17)18-4-7-20(18)8-12-23(13-9-20)19(24)16-5-10-21-11-6-16/h2-3,5-6,10-11,14,18H,4,7-9,12-13,15H2,1H3/t18-/m0/s1
InChIKeyGUFRILJGXZFMLA-SFHVURJKSA-N
XLogP3.19
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-pyridin-4-ylmethanone with MolForge

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Related Compounds

[(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-(5-methylfuran-2-yl)methanone
CID 97374851
[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
CID 131662070
(3R)-7-cyclopropylsulfonyl-N-(furan-2-ylmethyl)-N-methyl-7-azaspiro[3.5]nonan-3-amine
CID 97374863
[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 171686108
[(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone
CID 97450643
[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone
CID 131640830
(4,4-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110738617
[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone
CID 131649158
1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 35699759
[2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone
CID 133140386
N-(furan-2-ylmethyl)-3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 25489711
[6-(dimethylamino)-3-pyridinyl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 56811923

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-pyridin-4-ylmethanone (CID 97374844) is [(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-pyridin-4-ylmethanone is CN(Cc1ccco1)[C@H]1CCC12CCN(C(=O)c1ccncc1)CC2.
What is the InChIKey of [(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-pyridin-4-ylmethanone?
The InChIKey is GUFRILJGXZFMLA-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-22(15-17-3-2-14-25-17)18-4-7-20(18)8-12-23(13-9-20)19(24)16-5-10-21-11-6-16/h2-3,5-6,10-11,14,18H,4,7-9,12-13,15H2,1H3/t18-/m0/s1.
What are the key properties of [(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-pyridin-4-ylmethanone?
[(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-pyridin-4-ylmethanone has a molecular weight of 339.44 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 97374844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).