5-chloro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide

C17H12ClF3N6O2 — CID 88936856

IUPAC5-chloro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
SMILESCOc1ccc(Nc2ncc(C(F)(F)F)cc2NC(=O)c2cnc(Cl)cn2)cn1
InChIInChI=1S/C17H12ClF3N6O2/c1-29-14-3-2-10(6-24-14)26-15-11(4-9(5-25-15)17(19,20)21)27-16(28)12-7-23-13(18)8-22-12/h2-8H,1H3,(H,25,26)(H,27,28)
InChIKeyDUFZMXAAFMIYKS-UHFFFAOYSA-N
MW424.77 g/mol
LogP3.94
Rot. Bonds5

About 5-chloro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide

5-chloro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide (PubChem CID 88936856) has the molecular formula C17H12ClF3N6O2 and a molecular weight of 424.77 g/mol. Its IUPAC name is 5-chloro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
PubChem CID88936856
Molecular FormulaC17H12ClF3N6O2
Molecular Weight424.77 g/mol
Exact Mass424.07
IUPAC Name5-chloro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
SMILESCOc1ccc(Nc2ncc(C(F)(F)F)cc2NC(=O)c2cnc(Cl)cn2)cn1
InChIInChI=1S/C17H12ClF3N6O2/c1-29-14-3-2-10(6-24-14)26-15-11(4-9(5-25-15)17(19,20)21)27-16(28)12-7-23-13(18)8-22-12/h2-8H,1H3,(H,25,26)(H,27,28)
InChIKeyDUFZMXAAFMIYKS-UHFFFAOYSA-N
XLogP3.94
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.77
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide (CID 88936856) is 5-chloro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide is COc1ccc(Nc2ncc(C(F)(F)F)cc2NC(=O)c2cnc(Cl)cn2)cn1.
What is the InChIKey of 5-chloro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide?
The InChIKey is DUFZMXAAFMIYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N6O2/c1-29-14-3-2-10(6-24-14)26-15-11(4-9(5-25-15)17(19,20)21)27-16(28)12-7-23-13(18)8-22-12/h2-8H,1H3,(H,25,26)(H,27,28).
What are the key properties of 5-chloro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide?
5-chloro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide has a molecular weight of 424.77 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide is sourced from PubChem (CID 88936856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).