2-hydroxy-1-[4-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone

C16H19N5O2 — CID 110093931

IUPAC2-hydroxy-1-[4-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
SMILESO=C(CO)N1CCC(c2cccc(Nc3cnccn3)n2)CC1
InChIInChI=1S/C16H19N5O2/c22-11-16(23)21-8-4-12(5-9-21)13-2-1-3-14(19-13)20-15-10-17-6-7-18-15/h1-3,6-7,10,12,22H,4-5,8-9,11H2,(H,18,19,20)
InChIKeyNIDRIERJYUJKIW-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.31
Rot. Bonds4

About 2-hydroxy-1-[4-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone

2-hydroxy-1-[4-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 110093931) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-hydroxy-1-[4-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[4-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
PubChem CID110093931
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name2-hydroxy-1-[4-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
SMILESO=C(CO)N1CCC(c2cccc(Nc3cnccn3)n2)CC1
InChIInChI=1S/C16H19N5O2/c22-11-16(23)21-8-4-12(5-9-21)13-2-1-3-14(19-13)20-15-10-17-6-7-18-15/h1-3,6-7,10,12,22H,4-5,8-9,11H2,(H,18,19,20)
InChIKeyNIDRIERJYUJKIW-UHFFFAOYSA-N
XLogP1.31
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-1-[(2R)-2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95835385
2-(3-methoxyphenoxy)-1-[4-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]butan-1-one
CID 110093928
N-[6-(1-cyclohexylpiperidin-4-yl)-2-pyridinyl]pyrazin-2-amine
CID 110093750
phenyl-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 124998713
[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 124982023
isoquinolin-1-yl-[3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 110093698
2-(2,6-dimethylanilino)-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110109850
phenyl-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110094434
3-(2-methoxyphenyl)-1-[(3R)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 124963042
N-[6-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]pyrazin-2-amine
CID 110093962
(4-methyl-1,3-thiazol-5-yl)-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 125005367
1-(4-methylpiperidin-1-yl)-2-[4-[6-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110094098

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[4-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone (CID 110093931) is 2-hydroxy-1-[4-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[4-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[4-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone is O=C(CO)N1CCC(c2cccc(Nc3cnccn3)n2)CC1.
What is the InChIKey of 2-hydroxy-1-[4-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is NIDRIERJYUJKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c22-11-16(23)21-8-4-12(5-9-21)13-2-1-3-14(19-13)20-15-10-17-6-7-18-15/h1-3,6-7,10,12,22H,4-5,8-9,11H2,(H,18,19,20).
What are the key properties of 2-hydroxy-1-[4-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone?
2-hydroxy-1-[4-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 313.36 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110093931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).