[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone

C20H20N6O — CID 124982023

IUPAC[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCC[C@H](c2cccc(Nc3cnccn3)n2)C1
InChIInChI=1S/C20H20N6O/c27-20(17-6-1-2-9-22-17)26-12-4-5-15(14-26)16-7-3-8-18(24-16)25-19-13-21-10-11-23-19/h1-3,6-11,13,15H,4-5,12,14H2,(H,23,24,25)/t15-/m0/s1
InChIKeyMUHUFFGCVLJQFJ-HNNXBMFYSA-N
MW360.42 g/mol
LogP3.03
Rot. Bonds4

About [(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone

[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 124982023) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is [(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID124982023
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCC[C@H](c2cccc(Nc3cnccn3)n2)C1
InChIInChI=1S/C20H20N6O/c27-20(17-6-1-2-9-22-17)26-12-4-5-15(14-26)16-7-3-8-18(24-16)25-19-13-21-10-11-23-19/h1-3,6-11,13,15H,4-5,12,14H2,(H,23,24,25)/t15-/m0/s1
InChIKeyMUHUFFGCVLJQFJ-HNNXBMFYSA-N
XLogP3.03
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

phenyl-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 124998713
isoquinolin-1-yl-[3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 110093698
[(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95824147
(4-methyl-1,3-thiazol-5-yl)-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 125005367
3-(2-methoxyphenyl)-1-[(3R)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 124963042
[3-[6-(3-methylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110110209
2-hydroxy-1-[4-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110093931
[3-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110096053
[3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110239982
2-[(3-methoxyphenyl)methyl-methylamino]-1-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 124946146
1-[(3S)-3-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95835868
6-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide
CID 110254341

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone (CID 124982023) is [(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCC[C@H](c2cccc(Nc3cnccn3)n2)C1.
What is the InChIKey of [(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is MUHUFFGCVLJQFJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H20N6O/c27-20(17-6-1-2-9-22-17)26-12-4-5-15(14-26)16-7-3-8-18(24-16)25-19-13-21-10-11-23-19/h1-3,6-11,13,15H,4-5,12,14H2,(H,23,24,25)/t15-/m0/s1.
What are the key properties of [(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone?
[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 360.42 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 124982023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).