4-methyl-N-[6-methyl-5-[3-(trifluoromethoxy)phenyl]pyrazin-2-yl]pyridine-3-carboxamide

C19H15F3N4O2 — CID 71010045

IUPAC4-methyl-N-[6-methyl-5-[3-(trifluoromethoxy)phenyl]pyrazin-2-yl]pyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1cnc(-c2cccc(OC(F)(F)F)c2)c(C)n1
InChIInChI=1S/C19H15F3N4O2/c1-11-6-7-23-9-15(11)18(27)26-16-10-24-17(12(2)25-16)13-4-3-5-14(8-13)28-19(20,21)22/h3-10H,1-2H3,(H,25,26,27)
InChIKeyFMNLRRCBGHCBSU-UHFFFAOYSA-N
MW388.35 g/mol
LogP4.31
Rot. Bonds4

About 4-methyl-N-[6-methyl-5-[3-(trifluoromethoxy)phenyl]pyrazin-2-yl]pyridine-3-carboxamide

4-methyl-N-[6-methyl-5-[3-(trifluoromethoxy)phenyl]pyrazin-2-yl]pyridine-3-carboxamide (PubChem CID 71010045) has the molecular formula C19H15F3N4O2 and a molecular weight of 388.35 g/mol. Its IUPAC name is 4-methyl-N-[6-methyl-5-[3-(trifluoromethoxy)phenyl]pyrazin-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[6-methyl-5-[3-(trifluoromethoxy)phenyl]pyrazin-2-yl]pyridine-3-carboxamide
PubChem CID71010045
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC Name4-methyl-N-[6-methyl-5-[3-(trifluoromethoxy)phenyl]pyrazin-2-yl]pyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1cnc(-c2cccc(OC(F)(F)F)c2)c(C)n1
InChIInChI=1S/C19H15F3N4O2/c1-11-6-7-23-9-15(11)18(27)26-16-10-24-17(12(2)25-16)13-4-3-5-14(8-13)28-19(20,21)22/h3-10H,1-2H3,(H,25,26,27)
InChIKeyFMNLRRCBGHCBSU-UHFFFAOYSA-N
XLogP4.31
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[6-methyl-5-[3-(trifluoromethoxy)phenyl]pyrazin-2-yl]pyridine-3-carboxamide?
The IUPAC name of 4-methyl-N-[6-methyl-5-[3-(trifluoromethoxy)phenyl]pyrazin-2-yl]pyridine-3-carboxamide (CID 71010045) is 4-methyl-N-[6-methyl-5-[3-(trifluoromethoxy)phenyl]pyrazin-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[6-methyl-5-[3-(trifluoromethoxy)phenyl]pyrazin-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 4-methyl-N-[6-methyl-5-[3-(trifluoromethoxy)phenyl]pyrazin-2-yl]pyridine-3-carboxamide is Cc1ccncc1C(=O)Nc1cnc(-c2cccc(OC(F)(F)F)c2)c(C)n1.
What is the InChIKey of 4-methyl-N-[6-methyl-5-[3-(trifluoromethoxy)phenyl]pyrazin-2-yl]pyridine-3-carboxamide?
The InChIKey is FMNLRRCBGHCBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c1-11-6-7-23-9-15(11)18(27)26-16-10-24-17(12(2)25-16)13-4-3-5-14(8-13)28-19(20,21)22/h3-10H,1-2H3,(H,25,26,27).
What are the key properties of 4-methyl-N-[6-methyl-5-[3-(trifluoromethoxy)phenyl]pyrazin-2-yl]pyridine-3-carboxamide?
4-methyl-N-[6-methyl-5-[3-(trifluoromethoxy)phenyl]pyrazin-2-yl]pyridine-3-carboxamide has a molecular weight of 388.35 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[6-methyl-5-[3-(trifluoromethoxy)phenyl]pyrazin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 71010045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).