[(3S)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone

C22H24N6O — CID 95838117

IUPAC[(3S)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC[C@H](CCc2ccnc(Nc3cnccn3)c2)C1
InChIInChI=1S/C22H24N6O/c29-22(19-4-1-8-23-14-19)28-12-2-3-18(16-28)6-5-17-7-9-25-20(13-17)27-21-15-24-10-11-26-21/h1,4,7-11,13-15,18H,2-3,5-6,12,16H2,(H,25,26,27)/t18-/m1/s1
InChIKeyZMKZEKZHRCVSDE-GOSISDBHSA-N
MW388.48 g/mol
LogP3.50
Rot. Bonds6

About [(3S)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone

[(3S)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 95838117) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is [(3S)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID95838117
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name[(3S)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC[C@H](CCc2ccnc(Nc3cnccn3)c2)C1
InChIInChI=1S/C22H24N6O/c29-22(19-4-1-8-23-14-19)28-12-2-3-18(16-28)6-5-17-7-9-25-20(13-17)27-21-15-24-10-11-26-21/h1,4,7-11,13-15,18H,2-3,5-6,12,16H2,(H,25,26,27)/t18-/m1/s1
InChIKeyZMKZEKZHRCVSDE-GOSISDBHSA-N
XLogP3.50
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3S)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone with MolForge

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Related Compounds

[3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 110267556
2-(methylamino)-1-[(3R)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
CID 95842851
pyridin-3-yl-[4-[2-[2-(pyridin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]methanone
CID 124975186
[(3S)-3-(2-phenylethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 26392215
[(3R)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 25459016
N-[4-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]ethyl]-2-pyridinyl]acetamide
CID 124950139
3-[(3S)-1-[3-(pyrazin-2-ylamino)benzoyl]piperidin-3-yl]propanoic acid
CID 124700883
[(3R)-3-(methylaminomethyl)piperidin-1-yl]-[3-(pyrazin-2-ylamino)phenyl]methanone
CID 124684724
(3S)-N,N-dimethyl-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidine-1-sulfonamide
CID 95838129
[3-(chloromethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 63392979
[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 45188597
[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 42298601

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(3S)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone (CID 95838117) is [(3S)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(3S)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(3S)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCC[C@H](CCc2ccnc(Nc3cnccn3)c2)C1.
What is the InChIKey of [(3S)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is ZMKZEKZHRCVSDE-GOSISDBHSA-N. The full InChI is InChI=1S/C22H24N6O/c29-22(19-4-1-8-23-14-19)28-12-2-3-18(16-28)6-5-17-7-9-25-20(13-17)27-21-15-24-10-11-26-21/h1,4,7-11,13-15,18H,2-3,5-6,12,16H2,(H,25,26,27)/t18-/m1/s1.
What are the key properties of [(3S)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone?
[(3S)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 388.48 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 95838117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).