3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide

C23H25F3N8O2 — CID 118873335

IUPAC3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
SMILESCOc1cnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c(C(F)(F)F)c1
InChIInChI=1S/C23H25F3N8O2/c1-22(28)5-8-34(9-6-22)16-4-3-7-29-20(16)33-21(35)18-19(27)31-12-15(32-18)17-14(23(24,25)26)10-13(36-2)11-30-17/h3-4,7,10-12H,5-6,8-9,28H2,1-2H3,(H2,27,31)(H,29,33,35)
InChIKeyRULYSYJNGRSJSA-UHFFFAOYSA-N
MW502.50 g/mol
LogP3.11
Rot. Bonds5

About 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide

3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide (PubChem CID 118873335) has the molecular formula C23H25F3N8O2 and a molecular weight of 502.50 g/mol. Its IUPAC name is 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
PubChem CID118873335
Molecular FormulaC23H25F3N8O2
Molecular Weight502.50 g/mol
Exact Mass502.21
IUPAC Name3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
SMILESCOc1cnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c(C(F)(F)F)c1
InChIInChI=1S/C23H25F3N8O2/c1-22(28)5-8-34(9-6-22)16-4-3-7-29-20(16)33-21(35)18-19(27)31-12-15(32-18)17-14(23(24,25)26)10-13(36-2)11-30-17/h3-4,7,10-12H,5-6,8-9,28H2,1-2H3,(H2,27,31)(H,29,33,35)
InChIKeyRULYSYJNGRSJSA-UHFFFAOYSA-N
XLogP3.11
TPSA145.17 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.50
LogP ≤ 53.11
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-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide (CID 118873335) is 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide is COc1cnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c(C(F)(F)F)c1.
What is the InChIKey of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
The InChIKey is RULYSYJNGRSJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N8O2/c1-22(28)5-8-34(9-6-22)16-4-3-7-29-20(16)33-21(35)18-19(27)31-12-15(32-18)17-14(23(24,25)26)10-13(36-2)11-30-17/h3-4,7,10-12H,5-6,8-9,28H2,1-2H3,(H2,27,31)(H,29,33,35).
What are the key properties of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide has a molecular weight of 502.50 g/mol, XLogP of 3.11, 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-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide is sourced from PubChem (CID 118873335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).