2-methyl-N-[5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]pyridine-3-carboxamide

C20H15F3N6O — CID 143545663

IUPAC2-methyl-N-[5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]pyridine-3-carboxamide
SMILESCc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2cccnc2C)cn1
InChIInChI=1S/C20H15F3N6O/c1-11-5-6-15-14(8-11)27-19(20(21,22)23)29(15)17-10-25-16(9-26-17)28-18(30)13-4-3-7-24-12(13)2/h3-10H,1-2H3,(H,25,28,30)
InChIKeyQVENHDPMUHYTEJ-UHFFFAOYSA-N
MW412.38 g/mol
LogP4.10
Rot. Bonds3

About 2-methyl-N-[5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]pyridine-3-carboxamide

2-methyl-N-[5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]pyridine-3-carboxamide (PubChem CID 143545663) has the molecular formula C20H15F3N6O and a molecular weight of 412.38 g/mol. Its IUPAC name is 2-methyl-N-[5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]pyridine-3-carboxamide
PubChem CID143545663
Molecular FormulaC20H15F3N6O
Molecular Weight412.38 g/mol
Exact Mass412.13
IUPAC Name2-methyl-N-[5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]pyridine-3-carboxamide
SMILESCc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2cccnc2C)cn1
InChIInChI=1S/C20H15F3N6O/c1-11-5-6-15-14(8-11)27-19(20(21,22)23)29(15)17-10-25-16(9-26-17)28-18(30)13-4-3-7-24-12(13)2/h3-10H,1-2H3,(H,25,28,30)
InChIKeyQVENHDPMUHYTEJ-UHFFFAOYSA-N
XLogP4.10
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-[5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]pyridine-3-carboxamide (CID 143545663) is 2-methyl-N-[5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]pyridine-3-carboxamide is Cc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2cccnc2C)cn1.
What is the InChIKey of 2-methyl-N-[5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]pyridine-3-carboxamide?
The InChIKey is QVENHDPMUHYTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N6O/c1-11-5-6-15-14(8-11)27-19(20(21,22)23)29(15)17-10-25-16(9-26-17)28-18(30)13-4-3-7-24-12(13)2/h3-10H,1-2H3,(H,25,28,30).
What are the key properties of 2-methyl-N-[5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]pyridine-3-carboxamide?
2-methyl-N-[5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]pyridine-3-carboxamide has a molecular weight of 412.38 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 143545663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).