phenyl-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone

C21H21N5O — CID 124998713

IUPACphenyl-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCC[C@H](c2cccc(Nc3cnccn3)n2)C1
InChIInChI=1S/C21H21N5O/c27-21(16-6-2-1-3-7-16)26-13-5-8-17(15-26)18-9-4-10-19(24-18)25-20-14-22-11-12-23-20/h1-4,6-7,9-12,14,17H,5,8,13,15H2,(H,23,24,25)/t17-/m0/s1
InChIKeyRJPLKMBGJIVAQU-KRWDZBQOSA-N
MW359.43 g/mol
LogP3.63
Rot. Bonds4

About phenyl-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone

phenyl-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 124998713) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is phenyl-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
PubChem CID124998713
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Namephenyl-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCC[C@H](c2cccc(Nc3cnccn3)n2)C1
InChIInChI=1S/C21H21N5O/c27-21(16-6-2-1-3-7-16)26-13-5-8-17(15-26)18-9-4-10-19(24-18)25-20-14-22-11-12-23-20/h1-4,6-7,9-12,14,17H,5,8,13,15H2,(H,23,24,25)/t17-/m0/s1
InChIKeyRJPLKMBGJIVAQU-KRWDZBQOSA-N
XLogP3.63
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze phenyl-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(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
(4-methyl-1,3-thiazol-5-yl)-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 125005367
[(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95814602
[(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95821107
[3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 110255878
[(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95824147
3-(2-methoxyphenyl)-1-[(3R)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 124963042
phenyl-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110094434
[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[3-(pyrazin-2-ylamino)phenyl]methanone
CID 75470359
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110256969
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 110224388

Frequently Asked Questions

What is the IUPAC name of phenyl-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of phenyl-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone (CID 124998713) is phenyl-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for phenyl-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for phenyl-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone is O=C(c1ccccc1)N1CCC[C@H](c2cccc(Nc3cnccn3)n2)C1.
What is the InChIKey of phenyl-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is RJPLKMBGJIVAQU-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H21N5O/c27-21(16-6-2-1-3-7-16)26-13-5-8-17(15-26)18-9-4-10-19(24-18)25-20-14-22-11-12-23-20/h1-4,6-7,9-12,14,17H,5,8,13,15H2,(H,23,24,25)/t17-/m0/s1.
What are the key properties of phenyl-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone?
phenyl-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 359.43 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 124998713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).