N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide

C18H12ClF3N4O — CID 11531284

IUPACN-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide
SMILESCc1cnccc1C(=O)Nc1cnc(-c2cc(C(F)(F)F)ccc2Cl)cn1
InChIInChI=1S/C18H12ClF3N4O/c1-10-7-23-5-4-12(10)17(27)26-16-9-24-15(8-25-16)13-6-11(18(20,21)22)2-3-14(13)19/h2-9H,1H3,(H,25,26,27)
InChIKeyGSBMEFMHQICUJZ-UHFFFAOYSA-N
MW392.77 g/mol
LogP4.77
Rot. Bonds3

About N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide

N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide (PubChem CID 11531284) has the molecular formula C18H12ClF3N4O and a molecular weight of 392.77 g/mol. Its IUPAC name is N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide
PubChem CID11531284
Molecular FormulaC18H12ClF3N4O
Molecular Weight392.77 g/mol
Exact Mass392.07
IUPAC NameN-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide
SMILESCc1cnccc1C(=O)Nc1cnc(-c2cc(C(F)(F)F)ccc2Cl)cn1
InChIInChI=1S/C18H12ClF3N4O/c1-10-7-23-5-4-12(10)17(27)26-16-9-24-15(8-25-16)13-6-11(18(20,21)22)2-3-14(13)19/h2-9H,1H3,(H,25,26,27)
InChIKeyGSBMEFMHQICUJZ-UHFFFAOYSA-N
XLogP4.77
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.77
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide?
The IUPAC name of N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide (CID 11531284) is N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide?
The canonical SMILES for N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide is Cc1cnccc1C(=O)Nc1cnc(-c2cc(C(F)(F)F)ccc2Cl)cn1.
What is the InChIKey of N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide?
The InChIKey is GSBMEFMHQICUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N4O/c1-10-7-23-5-4-12(10)17(27)26-16-9-24-15(8-25-16)13-6-11(18(20,21)22)2-3-14(13)19/h2-9H,1H3,(H,25,26,27).
What are the key properties of N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide?
N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide has a molecular weight of 392.77 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide is sourced from PubChem (CID 11531284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).