5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide

C17H24N8O2S — CID 118114832

IUPAC5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
SMILESCc1cc(Nc2nc(N3CCC[C@@H](NC(=O)N(C)C)C3)cnc2C(N)=O)sn1
InChIInChI=1S/C17H24N8O2S/c1-10-7-13(28-23-10)22-16-14(15(18)26)19-8-12(21-16)25-6-4-5-11(9-25)20-17(27)24(2)3/h7-8,11H,4-6,9H2,1-3H3,(H2,18,26)(H,20,27)(H,21,22)/t11-/m1/s1
InChIKeySDGOXLDKFDEURY-LLVKDONJSA-N
MW404.50 g/mol
LogP1.32
Rot. Bonds5

About 5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide

5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide (PubChem CID 118114832) has the molecular formula C17H24N8O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is 5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
PubChem CID118114832
Molecular FormulaC17H24N8O2S
Molecular Weight404.50 g/mol
Exact Mass404.17
IUPAC Name5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
SMILESCc1cc(Nc2nc(N3CCC[C@@H](NC(=O)N(C)C)C3)cnc2C(N)=O)sn1
InChIInChI=1S/C17H24N8O2S/c1-10-7-13(28-23-10)22-16-14(15(18)26)19-8-12(21-16)25-6-4-5-11(9-25)20-17(27)24(2)3/h7-8,11H,4-6,9H2,1-3H3,(H2,18,26)(H,20,27)(H,21,22)/t11-/m1/s1
InChIKeySDGOXLDKFDEURY-LLVKDONJSA-N
XLogP1.32
TPSA129.37 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide?
The IUPAC name of 5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide (CID 118114832) is 5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide?
The canonical SMILES for 5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide is Cc1cc(Nc2nc(N3CCC[C@@H](NC(=O)N(C)C)C3)cnc2C(N)=O)sn1.
What is the InChIKey of 5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide?
The InChIKey is SDGOXLDKFDEURY-LLVKDONJSA-N. The full InChI is InChI=1S/C17H24N8O2S/c1-10-7-13(28-23-10)22-16-14(15(18)26)19-8-12(21-16)25-6-4-5-11(9-25)20-17(27)24(2)3/h7-8,11H,4-6,9H2,1-3H3,(H2,18,26)(H,20,27)(H,21,22)/t11-/m1/s1.
What are the key properties of 5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide?
5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide has a molecular weight of 404.50 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 118114832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).