[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone

C21H23N7O — CID 92607076

IUPAC[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCN(C)c1cc(C2CCN(C(=O)c3cccnc3)CC2)nc(-c2cnccn2)n1
InChIInChI=1S/C21H23N7O/c1-27(2)19-12-17(25-20(26-19)18-14-23-8-9-24-18)15-5-10-28(11-6-15)21(29)16-4-3-7-22-13-16/h3-4,7-9,12-15H,5-6,10-11H2,1-2H3
InChIKeyBEZYKGSPEIDYBI-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.41
Rot. Bonds4

About [4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone

[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 92607076) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is [4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID92607076
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCN(C)c1cc(C2CCN(C(=O)c3cccnc3)CC2)nc(-c2cnccn2)n1
InChIInChI=1S/C21H23N7O/c1-27(2)19-12-17(25-20(26-19)18-14-23-8-9-24-18)15-5-10-28(11-6-15)21(29)16-4-3-7-22-13-16/h3-4,7-9,12-15H,5-6,10-11H2,1-2H3
InChIKeyBEZYKGSPEIDYBI-UHFFFAOYSA-N
XLogP2.41
TPSA88.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 92607070
1-[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 92585057
(2,3-dimethoxyphenyl)-[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 92607074
[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 92560275
[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 92581068
1-[(3R)-3-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 92607041
[(3R)-3-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 92597486
1-[4-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-phenoxyethanone
CID 92606944
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95292486
1-[4-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 92556138
(4-pyrazin-2-ylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 95824131

Frequently Asked Questions

What is the IUPAC name of [4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone (CID 92607076) is [4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone is CN(C)c1cc(C2CCN(C(=O)c3cccnc3)CC2)nc(-c2cnccn2)n1.
What is the InChIKey of [4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is BEZYKGSPEIDYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-27(2)19-12-17(25-20(26-19)18-14-23-8-9-24-18)15-5-10-28(11-6-15)21(29)16-4-3-7-22-13-16/h3-4,7-9,12-15H,5-6,10-11H2,1-2H3.
What are the key properties of [4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 389.46 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 92607076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).