2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)thiophene-3-carbonyl]piperidin-3-yl]oxypyridine-4-carbonitrile

C19H18N6O2S — CID 71526300

IUPAC2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)thiophene-3-carbonyl]piperidin-3-yl]oxypyridine-4-carbonitrile
SMILESC[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccsc1-n1nccn1
InChIInChI=1S/C19H18N6O2S/c1-13-2-3-15(27-17-10-14(11-20)4-6-21-17)12-24(13)18(26)16-5-9-28-19(16)25-22-7-8-23-25/h4-10,13,15H,2-3,12H2,1H3/t13-,15-/m1/s1
InChIKeyCFLCOSGEEDANMY-UKRRQHHQSA-N
MW394.46 g/mol
LogP2.67
Rot. Bonds4

About 2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)thiophene-3-carbonyl]piperidin-3-yl]oxypyridine-4-carbonitrile

2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)thiophene-3-carbonyl]piperidin-3-yl]oxypyridine-4-carbonitrile (PubChem CID 71526300) has the molecular formula C19H18N6O2S and a molecular weight of 394.46 g/mol. Its IUPAC name is 2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)thiophene-3-carbonyl]piperidin-3-yl]oxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)thiophene-3-carbonyl]piperidin-3-yl]oxypyridine-4-carbonitrile
PubChem CID71526300
Molecular FormulaC19H18N6O2S
Molecular Weight394.46 g/mol
Exact Mass394.12
IUPAC Name2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)thiophene-3-carbonyl]piperidin-3-yl]oxypyridine-4-carbonitrile
SMILESC[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccsc1-n1nccn1
InChIInChI=1S/C19H18N6O2S/c1-13-2-3-15(27-17-10-14(11-20)4-6-21-17)12-24(13)18(26)16-5-9-28-19(16)25-22-7-8-23-25/h4-10,13,15H,2-3,12H2,1H3/t13-,15-/m1/s1
InChIKeyCFLCOSGEEDANMY-UKRRQHHQSA-N
XLogP2.67
TPSA96.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)thiophene-3-carbonyl]piperidin-3-yl]oxypyridine-4-carbonitrile with MolForge

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Related Compounds

[(2R,5R)-2-methyl-5-[(4-methylsulfanyl-2-pyridinyl)oxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 118736955
[(2R,5R)-2-methyl-5-[(4-methylsulfonyl-2-pyridinyl)oxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 118736956
2-{[(3R,6R)-6-Methyl-1-{[2-(2H-1,2,3-triazol-2-yl)phenyl]carbonyl}piperidin-3-yl]oxy}pyridine-4-carbonitrile
CID 71543409
[(2R,5R)-5-[[3-(2-hydroxypropan-2-yl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)thiophen-3-yl]methanone
CID 86276237
6-[[(2R,5R)-5-methyl-4-[2-(triazol-2-yl)benzoyl]thiomorpholin-2-yl]methoxy]pyridine-3-carbonitrile
CID 71526144
2-[[(2R,5R)-5-methyl-4-[2-(triazol-2-yl)benzoyl]thiomorpholin-2-yl]methoxy]pyridine-3-carbonitrile
CID 71526233
Orexin receptor antagonist 11
CID 71526301
Orexin receptor antagonist 13
CID 71526303
Orexin receptor antagonist 14
CID 71526390
(2-(2H-1,2,3-Triazol-2-yl)thiophen-3-yl)((2R,5R)-5-((4-(difluoromethoxy)pyridin-2-yl)oxy)-2-methylpiperidin-1-yl)methanone
CID 78324971
4-(difluoromethoxy)-2-{[(3R,6R)-6-methyl-1-{[4-(2H-1,2,3-triazol-2-yl) thiophen-3-yl]carbonyl} piperidin-3-yl]oxy}pyridine
CID 78324973
(2-(2H-1,2,3-Triazol-2-yl)thiophen-3-yl)((2R,5R)-5-((4-(2,2-difluoroethoxy)pyridin-2-yl)oxy)-2-methylpiperidin-1-yl)methanone
CID 78325031

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)thiophene-3-carbonyl]piperidin-3-yl]oxypyridine-4-carbonitrile?
The IUPAC name of 2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)thiophene-3-carbonyl]piperidin-3-yl]oxypyridine-4-carbonitrile (CID 71526300) is 2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)thiophene-3-carbonyl]piperidin-3-yl]oxypyridine-4-carbonitrile.
What is the SMILES notation for 2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)thiophene-3-carbonyl]piperidin-3-yl]oxypyridine-4-carbonitrile?
The canonical SMILES for 2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)thiophene-3-carbonyl]piperidin-3-yl]oxypyridine-4-carbonitrile is C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccsc1-n1nccn1.
What is the InChIKey of 2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)thiophene-3-carbonyl]piperidin-3-yl]oxypyridine-4-carbonitrile?
The InChIKey is CFLCOSGEEDANMY-UKRRQHHQSA-N. The full InChI is InChI=1S/C19H18N6O2S/c1-13-2-3-15(27-17-10-14(11-20)4-6-21-17)12-24(13)18(26)16-5-9-28-19(16)25-22-7-8-23-25/h4-10,13,15H,2-3,12H2,1H3/t13-,15-/m1/s1.
What are the key properties of 2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)thiophene-3-carbonyl]piperidin-3-yl]oxypyridine-4-carbonitrile?
2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)thiophene-3-carbonyl]piperidin-3-yl]oxypyridine-4-carbonitrile has a molecular weight of 394.46 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)thiophene-3-carbonyl]piperidin-3-yl]oxypyridine-4-carbonitrile is sourced from PubChem (CID 71526300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).