2-(methylamino)-1-[(3R)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone

C19H26N6O — CID 95842851

IUPAC2-(methylamino)-1-[(3R)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
SMILESCNCC(=O)N1CCC[C@@H](CCc2ccnc(Nc3cnccn3)c2)C1
InChIInChI=1S/C19H26N6O/c1-20-13-19(26)25-10-2-3-16(14-25)5-4-15-6-7-22-17(11-15)24-18-12-21-8-9-23-18/h6-9,11-12,16,20H,2-5,10,13-14H2,1H3,(H,22,23,24)/t16-/m0/s1
InChIKeyFHFZEPOXCBMMRR-INIZCTEOSA-N
MW354.46 g/mol
LogP2.01
Rot. Bonds7

About 2-(methylamino)-1-[(3R)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone

2-(methylamino)-1-[(3R)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone (PubChem CID 95842851) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 2-(methylamino)-1-[(3R)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[(3R)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
PubChem CID95842851
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name2-(methylamino)-1-[(3R)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
SMILESCNCC(=O)N1CCC[C@@H](CCc2ccnc(Nc3cnccn3)c2)C1
InChIInChI=1S/C19H26N6O/c1-20-13-19(26)25-10-2-3-16(14-25)5-4-15-6-7-22-17(11-15)24-18-12-21-8-9-23-18/h6-9,11-12,16,20H,2-5,10,13-14H2,1H3,(H,22,23,24)/t16-/m0/s1
InChIKeyFHFZEPOXCBMMRR-INIZCTEOSA-N
XLogP2.01
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(methylamino)-1-[(3R)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

[(3S)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95838117
[3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 110267556
(3S)-N,N-dimethyl-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidine-1-sulfonamide
CID 95838129
2-(methylamino)-1-[4-[2-[2-(pyrimidin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
CID 124976357
2-(methylamino)-1-[(3R)-3-[6-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 124950261
2-(methylamino)-1-[(3S)-3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95842844
1-[3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 56870699
N-[4-(2-piperidin-3-ylethyl)-2-pyridinyl]pyrazin-2-amine;hydrochloride
CID 71298941
[(3R)-3-(methylaminomethyl)piperidin-1-yl]-[3-(pyrazin-2-ylamino)phenyl]methanone
CID 124684724
1-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-3-pyrazin-2-ylpropan-1-one
CID 25279991
1-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 56880670
N-[2-[(3S)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-2-methylpropanamide
CID 95524841

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[(3R)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(methylamino)-1-[(3R)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone (CID 95842851) is 2-(methylamino)-1-[(3R)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[(3R)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[(3R)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone is CNCC(=O)N1CCC[C@@H](CCc2ccnc(Nc3cnccn3)c2)C1.
What is the InChIKey of 2-(methylamino)-1-[(3R)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone?
The InChIKey is FHFZEPOXCBMMRR-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N6O/c1-20-13-19(26)25-10-2-3-16(14-25)5-4-15-6-7-22-17(11-15)24-18-12-21-8-9-23-18/h6-9,11-12,16,20H,2-5,10,13-14H2,1H3,(H,22,23,24)/t16-/m0/s1.
What are the key properties of 2-(methylamino)-1-[(3R)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone?
2-(methylamino)-1-[(3R)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone has a molecular weight of 354.46 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[(3R)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95842851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).