formic acid;8-(furan-2-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one

C21H25N3O5 — CID 155836120

IUPACformic acid;8-(furan-2-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1cccc(CN2CC3(CCN(C(=O)c4ccco4)CC3)CC2=O)n1.O=CO
InChIInChI=1S/C20H23N3O3.CH2O2/c1-15-4-2-5-16(21-15)13-23-14-20(12-18(23)24)7-9-22(10-8-20)19(25)17-6-3-11-26-17;2-1-3/h2-6,11H,7-10,12-14H2,1H3;1H,(H,2,3)
InChIKeyBPTCWDFIUODMKE-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.34
Rot. Bonds3

About formic acid;8-(furan-2-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one

formic acid;8-(furan-2-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 155836120) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is formic acid;8-(furan-2-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Nameformic acid;8-(furan-2-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID155836120
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC Nameformic acid;8-(furan-2-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1cccc(CN2CC3(CCN(C(=O)c4ccco4)CC3)CC2=O)n1.O=CO
InChIInChI=1S/C20H23N3O3.CH2O2/c1-15-4-2-5-16(21-15)13-23-14-20(12-18(23)24)7-9-22(10-8-20)19(25)17-6-3-11-26-17;2-1-3/h2-6,11H,7-10,12-14H2,1H3;1H,(H,2,3)
InChIKeyBPTCWDFIUODMKE-UHFFFAOYSA-N
XLogP2.34
TPSA103.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze formic acid;8-(furan-2-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one with MolForge

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Related Compounds

2-[(6-methyl-2-pyridinyl)methyl]-8-[(1R,5S)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 131687291
formic acid;[4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(5-methyl-2H-triazol-4-yl)methanone
CID 154911764
4-[(6-methyl-2-pyridinyl)methyl]-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 155829039
formic acid;8-(pyridine-2-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 155826391
[(4aR,8aS)-1-[(6-methyl-2-pyridinyl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-(furan-2-yl)methanone
CID 118754330
furan-2-yl-[2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonan-7-yl]methanone
CID 3234982
3-azaspiro[5.5]undecan-3-yl(furan-2-yl)methanone
CID 62867411
9-(furan-2-carbonyl)-1-methyl-4-prop-2-enyl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97373327
2-ethyl-8-(5-methylfuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 155870146
8-[(1S,2R)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 98896327
(5S)-9-(5-methylfuran-2-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 97372108
8-(3,5-dimethylbenzoyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131680168

Frequently Asked Questions

What is the IUPAC name of formic acid;8-(furan-2-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of formic acid;8-(furan-2-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one (CID 155836120) is formic acid;8-(furan-2-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for formic acid;8-(furan-2-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for formic acid;8-(furan-2-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one is Cc1cccc(CN2CC3(CCN(C(=O)c4ccco4)CC3)CC2=O)n1.O=CO.
What is the InChIKey of formic acid;8-(furan-2-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is BPTCWDFIUODMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3.CH2O2/c1-15-4-2-5-16(21-15)13-23-14-20(12-18(23)24)7-9-22(10-8-20)19(25)17-6-3-11-26-17;2-1-3/h2-6,11H,7-10,12-14H2,1H3;1H,(H,2,3).
What are the key properties of formic acid;8-(furan-2-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
formic acid;8-(furan-2-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 399.45 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;8-(furan-2-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 155836120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).