8-(6-oxo-1H-pyridine-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

C21H24N4O3 — CID 70716400

IUPAC8-(6-oxo-1H-pyridine-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCN(C(=O)c3ccc(=O)[nH]c3)C2)CN1Cc1cccnc1
InChIInChI=1S/C21H24N4O3/c26-18-5-4-17(12-23-18)20(28)24-10-2-7-21(14-24)8-6-19(27)25(15-21)13-16-3-1-9-22-11-16/h1,3-5,9,11-12H,2,6-8,10,13-15H2,(H,23,26)
InChIKeyHIQCVSVMFVTPMQ-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.81
Rot. Bonds3

About 8-(6-oxo-1H-pyridine-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

8-(6-oxo-1H-pyridine-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70716400) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 8-(6-oxo-1H-pyridine-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name8-(6-oxo-1H-pyridine-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70716400
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name8-(6-oxo-1H-pyridine-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCN(C(=O)c3ccc(=O)[nH]c3)C2)CN1Cc1cccnc1
InChIInChI=1S/C21H24N4O3/c26-18-5-4-17(12-23-18)20(28)24-10-2-7-21(14-24)8-6-19(27)25(15-21)13-16-3-1-9-22-11-16/h1,3-5,9,11-12H,2,6-8,10,13-15H2,(H,23,26)
InChIKeyHIQCVSVMFVTPMQ-UHFFFAOYSA-N
XLogP1.81
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-2-[(5-methylpyrazin-2-yl)methyl]-8-(6-oxo-1H-pyridine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97156961
(6S)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(6-oxo-1H-pyridine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96576314
N-[2-oxo-2-[3-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]ethyl]acetamide
CID 70732798
(6R)-8-hexanoyl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95869220
2-methyl-N-[2-oxo-2-[3-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]ethyl]propanamide
CID 70707164
(6R)-8-[2-[methyl(propan-2-yl)amino]acetyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95871259
2-methyl-N-[2-oxo-2-[(6S)-3-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]ethyl]propanamide
CID 95873898
(6R)-8-[2-(2-methylimidazol-1-yl)acetyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97133245
(6S)-8-(furan-3-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97121102
pyridin-3-yl-[(5S)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97450112
(6R)-8-pyrazin-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95889268
5-[5-(pyridin-3-ylmethyl)spiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one
CID 110068802

Frequently Asked Questions

What is the IUPAC name of 8-(6-oxo-1H-pyridine-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 8-(6-oxo-1H-pyridine-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70716400) is 8-(6-oxo-1H-pyridine-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 8-(6-oxo-1H-pyridine-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 8-(6-oxo-1H-pyridine-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCCN(C(=O)c3ccc(=O)[nH]c3)C2)CN1Cc1cccnc1.
What is the InChIKey of 8-(6-oxo-1H-pyridine-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is HIQCVSVMFVTPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c26-18-5-4-17(12-23-18)20(28)24-10-2-7-21(14-24)8-6-19(27)25(15-21)13-16-3-1-9-22-11-16/h1,3-5,9,11-12H,2,6-8,10,13-15H2,(H,23,26).
What are the key properties of 8-(6-oxo-1H-pyridine-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
8-(6-oxo-1H-pyridine-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 380.45 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-oxo-1H-pyridine-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70716400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).