[4-hydroxy-9-(4-methoxypyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-3-ylmethanone

C22H26N4O4 — CID 171907043

IUPAC[4-hydroxy-9-(4-methoxypyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-3-ylmethanone
SMILESCOc1ccnc(C(=O)N2CCC3(CC2)CC(O)CN(C(=O)c2cccnc2)C3)c1
InChIInChI=1S/C22H26N4O4/c1-30-18-4-8-24-19(11-18)21(29)25-9-5-22(6-10-25)12-17(27)14-26(15-22)20(28)16-3-2-7-23-13-16/h2-4,7-8,11,13,17,27H,5-6,9-10,12,14-15H2,1H3
InChIKeyJARJJLISNAKPQF-UHFFFAOYSA-N
MW410.47 g/mol
LogP1.61
Rot. Bonds3

About [4-hydroxy-9-(4-methoxypyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-3-ylmethanone

[4-hydroxy-9-(4-methoxypyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-3-ylmethanone (PubChem CID 171907043) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is [4-hydroxy-9-(4-methoxypyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-hydroxy-9-(4-methoxypyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-3-ylmethanone
PubChem CID171907043
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name[4-hydroxy-9-(4-methoxypyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-3-ylmethanone
SMILESCOc1ccnc(C(=O)N2CCC3(CC2)CC(O)CN(C(=O)c2cccnc2)C3)c1
InChIInChI=1S/C22H26N4O4/c1-30-18-4-8-24-19(11-18)21(29)25-9-5-22(6-10-25)12-17(27)14-26(15-22)20(28)16-3-2-7-23-13-16/h2-4,7-8,11,13,17,27H,5-6,9-10,12,14-15H2,1H3
InChIKeyJARJJLISNAKPQF-UHFFFAOYSA-N
XLogP1.61
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-(4-methylphenyl)methanone
CID 171913207
[9-[(2-fluoro-4-methoxyphenyl)methyl]-4-hydroxy-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-3-ylmethanone
CID 171910976
1-[4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-(3-methylphenyl)ethanone
CID 171912252
(2-methoxy-7-azaspiro[3.5]nonan-7-yl)-pyridin-3-ylmethanone
CID 97451282
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
[2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]-pyridin-3-ylmethanone
CID 97472755
[(3R)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
CID 97375074
1-[(4R)-4-hydroxy-3,3-dimethyl-9-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 124985805
(3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone
CID 63106557
N-[6-(pyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98897052
1-[9-[6-(dimethylamino)pyridine-3-carbonyl]-4-hydroxy-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 171915691
pyrazin-2-yl-(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methanone
CID 97451301

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-9-(4-methoxypyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-hydroxy-9-(4-methoxypyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-3-ylmethanone (CID 171907043) is [4-hydroxy-9-(4-methoxypyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-hydroxy-9-(4-methoxypyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-hydroxy-9-(4-methoxypyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-3-ylmethanone is COc1ccnc(C(=O)N2CCC3(CC2)CC(O)CN(C(=O)c2cccnc2)C3)c1.
What is the InChIKey of [4-hydroxy-9-(4-methoxypyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-3-ylmethanone?
The InChIKey is JARJJLISNAKPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-30-18-4-8-24-19(11-18)21(29)25-9-5-22(6-10-25)12-17(27)14-26(15-22)20(28)16-3-2-7-23-13-16/h2-4,7-8,11,13,17,27H,5-6,9-10,12,14-15H2,1H3.
What are the key properties of [4-hydroxy-9-(4-methoxypyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-3-ylmethanone?
[4-hydroxy-9-(4-methoxypyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-3-ylmethanone has a molecular weight of 410.47 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-9-(4-methoxypyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 171907043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).