3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide

C22H23F3N8O2 — CID 118873279

IUPAC3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide
SMILESCc1ccc(N2CCC(N)CC2)c(NC(=O)c2nc(-c3ncccc3OC(F)(F)F)cnc2N)n1
InChIInChI=1S/C22H23F3N8O2/c1-12-4-5-15(33-9-6-13(26)7-10-33)20(30-12)32-21(34)18-19(27)29-11-14(31-18)17-16(3-2-8-28-17)35-22(23,24)25/h2-5,8,11,13H,6-7,9-10,26H2,1H3,(H2,27,29)(H,30,32,34)
InChIKeyZMVZPSWBKRRAPA-UHFFFAOYSA-N
MW488.47 g/mol
LogP2.90
Rot. Bonds5

About 3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide

3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide (PubChem CID 118873279) has the molecular formula C22H23F3N8O2 and a molecular weight of 488.47 g/mol. Its IUPAC name is 3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide
PubChem CID118873279
Molecular FormulaC22H23F3N8O2
Molecular Weight488.47 g/mol
Exact Mass488.19
IUPAC Name3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide
SMILESCc1ccc(N2CCC(N)CC2)c(NC(=O)c2nc(-c3ncccc3OC(F)(F)F)cnc2N)n1
InChIInChI=1S/C22H23F3N8O2/c1-12-4-5-15(33-9-6-13(26)7-10-33)20(30-12)32-21(34)18-19(27)29-11-14(31-18)17-16(3-2-8-28-17)35-22(23,24)25/h2-5,8,11,13H,6-7,9-10,26H2,1H3,(H2,27,29)(H,30,32,34)
InChIKeyZMVZPSWBKRRAPA-UHFFFAOYSA-N
XLogP2.90
TPSA145.17 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.47
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide (CID 118873279) is 3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide is Cc1ccc(N2CCC(N)CC2)c(NC(=O)c2nc(-c3ncccc3OC(F)(F)F)cnc2N)n1.
What is the InChIKey of 3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide?
The InChIKey is ZMVZPSWBKRRAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N8O2/c1-12-4-5-15(33-9-6-13(26)7-10-33)20(30-12)32-21(34)18-19(27)29-11-14(31-18)17-16(3-2-8-28-17)35-22(23,24)25/h2-5,8,11,13H,6-7,9-10,26H2,1H3,(H2,27,29)(H,30,32,34).
What are the key properties of 3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide?
3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide has a molecular weight of 488.47 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide is sourced from PubChem (CID 118873279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).