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

C16H19N5O — CID 95824147

IUPAC[(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCNc1cccc([C@H]2CCCN(C(=O)c3cnccn3)C2)n1
InChIInChI=1S/C16H19N5O/c1-17-15-6-2-5-13(20-15)12-4-3-9-21(11-12)16(22)14-10-18-7-8-19-14/h2,5-8,10,12H,3-4,9,11H2,1H3,(H,17,20)/t12-/m0/s1
InChIKeyTUKGSJZIUOFOMC-LBPRGKRZSA-N
MW297.36 g/mol
LogP1.93
Rot. Bonds3

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

[(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 95824147) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is [(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID95824147
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name[(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCNc1cccc([C@H]2CCCN(C(=O)c3cnccn3)C2)n1
InChIInChI=1S/C16H19N5O/c1-17-15-6-2-5-13(20-15)12-4-3-9-21(11-12)16(22)14-10-18-7-8-19-14/h2,5-8,10,12H,3-4,9,11H2,1H3,(H,17,20)/t12-/m0/s1
InChIKeyTUKGSJZIUOFOMC-LBPRGKRZSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 124982023
1-[(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95841313
[(3S)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95809539
N-methyl-6-(1-pyrazin-2-ylpiperidin-3-yl)pyridin-2-amine
CID 110269026
[(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 94475780
[(3R)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95809563
phenyl-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 124998713
[3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110268069
[(3R)-3-[6-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95819758
(4-methyl-1,3-thiazol-5-yl)-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 125005367
[3-[4-[(3-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110252560
isoquinolin-1-yl-[3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 110093698

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone (CID 95824147) is [(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone is CNc1cccc([C@H]2CCCN(C(=O)c3cnccn3)C2)n1.
What is the InChIKey of [(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is TUKGSJZIUOFOMC-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N5O/c1-17-15-6-2-5-13(20-15)12-4-3-9-21(11-12)16(22)14-10-18-7-8-19-14/h2,5-8,10,12H,3-4,9,11H2,1H3,(H,17,20)/t12-/m0/s1.
What are the key properties of [(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone?
[(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 297.36 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 95824147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).