8-(5-methylfuran-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one

C19H21N3O3 — CID 131657887

IUPAC8-(5-methylfuran-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1ccc(C(=O)N2CCC3(CC2)NC(=O)CC3c2ccncc2)o1
InChIInChI=1S/C19H21N3O3/c1-13-2-3-16(25-13)18(24)22-10-6-19(7-11-22)15(12-17(23)21-19)14-4-8-20-9-5-14/h2-5,8-9,15H,6-7,10-12H2,1H3,(H,21,23)
InChIKeyJCWWKNYANRKFPF-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.26
Rot. Bonds2

About 8-(5-methylfuran-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one

8-(5-methylfuran-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 131657887) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 8-(5-methylfuran-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(5-methylfuran-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID131657887
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name8-(5-methylfuran-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1ccc(C(=O)N2CCC3(CC2)NC(=O)CC3c2ccncc2)o1
InChIInChI=1S/C19H21N3O3/c1-13-2-3-16(25-13)18(24)22-10-6-19(7-11-22)15(12-17(23)21-19)14-4-8-20-9-5-14/h2-5,8-9,15H,6-7,10-12H2,1H3,(H,21,23)
InChIKeyJCWWKNYANRKFPF-UHFFFAOYSA-N
XLogP2.26
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-8-(5-methylfuran-2-carbonyl)-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 97384121
8-(4-methylbenzoyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 134070711
(4S)-8-benzoyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97470012
8-(6-methylpyridine-3-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 134070712
4-pyridin-4-yl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 118744989
(4S)-4-pyridin-4-yl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97469996
8-(2-fluorobenzoyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131648127
(4R)-8-[(3R)-oxolane-3-carbonyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97470037
(4S)-4-pyridin-4-yl-8-(2-thiophen-2-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97391832
8-(2-methylfuran-3-carbonyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 134074647
(4R)-4-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469985
4-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131640509

Frequently Asked Questions

What is the IUPAC name of 8-(5-methylfuran-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(5-methylfuran-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one (CID 131657887) is 8-(5-methylfuran-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(5-methylfuran-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(5-methylfuran-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one is Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)CC3c2ccncc2)o1.
What is the InChIKey of 8-(5-methylfuran-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is JCWWKNYANRKFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13-2-3-16(25-13)18(24)22-10-6-19(7-11-22)15(12-17(23)21-19)14-4-8-20-9-5-14/h2-5,8-9,15H,6-7,10-12H2,1H3,(H,21,23).
What are the key properties of 8-(5-methylfuran-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
8-(5-methylfuran-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 339.40 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-methylfuran-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 131657887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).