[(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone

C22H23N5O — CID 95814602

IUPAC[(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
SMILESCc1cccc(Nc2cncc([C@H]3CCCN(C(=O)c4ccccc4)C3)n2)n1
InChIInChI=1S/C22H23N5O/c1-16-7-5-11-20(24-16)26-21-14-23-13-19(25-21)18-10-6-12-27(15-18)22(28)17-8-3-2-4-9-17/h2-5,7-9,11,13-14,18H,6,10,12,15H2,1H3,(H,24,25,26)/t18-/m0/s1
InChIKeyRFBHFSCMAOMVEI-SFHVURJKSA-N
MW373.46 g/mol
LogP3.94
Rot. Bonds4

About [(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone

[(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone (PubChem CID 95814602) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is [(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
PubChem CID95814602
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name[(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
SMILESCc1cccc(Nc2cncc([C@H]3CCCN(C(=O)c4ccccc4)C3)n2)n1
InChIInChI=1S/C22H23N5O/c1-16-7-5-11-20(24-16)26-21-14-23-13-19(25-21)18-10-6-12-27(15-18)22(28)17-8-3-2-4-9-17/h2-5,7-9,11,13-14,18H,6,10,12,15H2,1H3,(H,24,25,26)/t18-/m0/s1
InChIKeyRFBHFSCMAOMVEI-SFHVURJKSA-N
XLogP3.94
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(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-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95814604
2-(dimethylamino)-1-[3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110252918
phenyl-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 124998713
(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-[4-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone
CID 110094322
[(3S)-3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 124976879
[3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 110099957
1H-imidazol-5-yl-[(3S)-3-[5-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone
CID 124979263
[(1R)-cyclohex-3-en-1-yl]-[4-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone
CID 124994832
(6-methyl-2-pyridinyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 124990884
2-methyl-1-[3-[5-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 110256273

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone (CID 95814602) is [(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone is Cc1cccc(Nc2cncc([C@H]3CCCN(C(=O)c4ccccc4)C3)n2)n1.
What is the InChIKey of [(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone?
The InChIKey is RFBHFSCMAOMVEI-SFHVURJKSA-N. The full InChI is InChI=1S/C22H23N5O/c1-16-7-5-11-20(24-16)26-21-14-23-13-19(25-21)18-10-6-12-27(15-18)22(28)17-8-3-2-4-9-17/h2-5,7-9,11,13-14,18H,6,10,12,15H2,1H3,(H,24,25,26)/t18-/m0/s1.
What are the key properties of [(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone?
[(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone has a molecular weight of 373.46 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 95814602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).