1-[(3S)-3-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone

C16H19N5O — CID 95835868

IUPAC1-[(3S)-3-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](c2cccc(Nc3ncccn3)n2)C1
InChIInChI=1S/C16H19N5O/c1-12(22)21-10-3-5-13(11-21)14-6-2-7-15(19-14)20-16-17-8-4-9-18-16/h2,4,6-9,13H,3,5,10-11H2,1H3,(H,17,18,19,20)/t13-/m0/s1
InChIKeyXNBGCYPUDQAHKL-ZDUSSCGKSA-N
MW297.36 g/mol
LogP2.34
Rot. Bonds3

About 1-[(3S)-3-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone

1-[(3S)-3-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 95835868) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-[(3S)-3-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
PubChem CID95835868
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name1-[(3S)-3-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](c2cccc(Nc3ncccn3)n2)C1
InChIInChI=1S/C16H19N5O/c1-12(22)21-10-3-5-13(11-21)14-6-2-7-15(19-14)20-16-17-8-4-9-18-16/h2,4,6-9,13H,3,5,10-11H2,1H3,(H,17,18,19,20)/t13-/m0/s1
InChIKeyXNBGCYPUDQAHKL-ZDUSSCGKSA-N
XLogP2.34
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95841313
N-[6-[(3S)-1-[(2-methylphenyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 95835954
N-[6-(1-pyrazin-2-ylpiperidin-3-yl)-2-pyridinyl]pyrimidin-2-amine
CID 110269836
1-[3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 118740404
1-[(3R)-3-[2-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 124999663
1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 110256849
N,N-diethyl-2-[4-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110093773
1-[4-[3-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110267424
1-[4-[(3S)-3-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 95837942
2-[6-[(3S)-1-acetylpiperidin-3-yl]-2-pyridinyl]benzoic acid
CID 124967509
N-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110265538
1-[3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110252898

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone (CID 95835868) is 1-[(3S)-3-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone is CC(=O)N1CCC[C@H](c2cccc(Nc3ncccn3)n2)C1.
What is the InChIKey of 1-[(3S)-3-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is XNBGCYPUDQAHKL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N5O/c1-12(22)21-10-3-5-13(11-21)14-6-2-7-15(19-14)20-16-17-8-4-9-18-16/h2,4,6-9,13H,3,5,10-11H2,1H3,(H,17,18,19,20)/t13-/m0/s1.
What are the key properties of 1-[(3S)-3-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone?
1-[(3S)-3-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 297.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95835868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).