6-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile

C20H17N5O2 — CID 71799107

IUPAC6-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1ccc(OC2CCN(C(=O)c3cnc4ccccc4n3)CC2)nc1
InChIInChI=1S/C20H17N5O2/c21-11-14-5-6-19(23-12-14)27-15-7-9-25(10-8-15)20(26)18-13-22-16-3-1-2-4-17(16)24-18/h1-6,12-13,15H,7-10H2
InChIKeySFFRFRYXYADFPG-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.58
Rot. Bonds3

About 6-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile

6-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile (PubChem CID 71799107) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 6-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
PubChem CID71799107
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name6-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1ccc(OC2CCN(C(=O)c3cnc4ccccc4n3)CC2)nc1
InChIInChI=1S/C20H17N5O2/c21-11-14-5-6-19(23-12-14)27-15-7-9-25(10-8-15)20(26)18-13-22-16-3-1-2-4-17(16)24-18/h1-6,12-13,15H,7-10H2
InChIKeySFFRFRYXYADFPG-UHFFFAOYSA-N
XLogP2.58
TPSA92.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-pyrimidin-2-yloxypiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 90558787
quinolin-2-yl-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559814
6-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]oxypyridine-3-carbonitrile
CID 67530014
6-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile
CID 71799106
(4-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629630
6-[1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile
CID 71799094
[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 129355538
6-[1-(hydroxymethyl)piperidin-4-yl]oxypyridine-3-carbonitrile
CID 71063615
[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 95758800
[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 126887928
[4-(methylamino)piperidin-1-yl]-quinoxalin-2-ylmethanone;dihydrochloride
CID 119559840
(2,6-difluorophenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559886

Frequently Asked Questions

What is the IUPAC name of 6-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 6-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile (CID 71799107) is 6-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 6-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile is N#Cc1ccc(OC2CCN(C(=O)c3cnc4ccccc4n3)CC2)nc1.
What is the InChIKey of 6-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile?
The InChIKey is SFFRFRYXYADFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c21-11-14-5-6-19(23-12-14)27-15-7-9-25(10-8-15)20(26)18-13-22-16-3-1-2-4-17(16)24-18/h1-6,12-13,15H,7-10H2.
What are the key properties of 6-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile?
6-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile has a molecular weight of 359.39 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 71799107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).