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

C18H12ClF3N4O2 — CID 70978473

IUPACN-[5-[2-chloro-5-(trifluoromethoxy)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1cnc(-c2cc(OC(F)(F)F)ccc2Cl)cn1
InChIInChI=1S/C18H12ClF3N4O2/c1-10-4-5-23-7-13(10)17(27)26-16-9-24-15(8-25-16)12-6-11(2-3-14(12)19)28-18(20,21)22/h2-9H,1H3,(H,25,26,27)
InChIKeyTUTOOWJXKQRHBE-UHFFFAOYSA-N
MW408.77 g/mol
LogP4.65
Rot. Bonds4

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

N-[5-[2-chloro-5-(trifluoromethoxy)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide (PubChem CID 70978473) has the molecular formula C18H12ClF3N4O2 and a molecular weight of 408.77 g/mol. Its IUPAC name is N-[5-[2-chloro-5-(trifluoromethoxy)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[2-chloro-5-(trifluoromethoxy)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide
PubChem CID70978473
Molecular FormulaC18H12ClF3N4O2
Molecular Weight408.77 g/mol
Exact Mass408.06
IUPAC NameN-[5-[2-chloro-5-(trifluoromethoxy)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1cnc(-c2cc(OC(F)(F)F)ccc2Cl)cn1
InChIInChI=1S/C18H12ClF3N4O2/c1-10-4-5-23-7-13(10)17(27)26-16-9-24-15(8-25-16)12-6-11(2-3-14(12)19)28-18(20,21)22/h2-9H,1H3,(H,25,26,27)
InChIKeyTUTOOWJXKQRHBE-UHFFFAOYSA-N
XLogP4.65
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.77
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-chloro-5-(trifluoromethoxy)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-[2-chloro-5-(trifluoromethoxy)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide (CID 70978473) is N-[5-[2-chloro-5-(trifluoromethoxy)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[2-chloro-5-(trifluoromethoxy)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[2-chloro-5-(trifluoromethoxy)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide is Cc1ccncc1C(=O)Nc1cnc(-c2cc(OC(F)(F)F)ccc2Cl)cn1.
What is the InChIKey of N-[5-[2-chloro-5-(trifluoromethoxy)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
The InChIKey is TUTOOWJXKQRHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N4O2/c1-10-4-5-23-7-13(10)17(27)26-16-9-24-15(8-25-16)12-6-11(2-3-14(12)19)28-18(20,21)22/h2-9H,1H3,(H,25,26,27).
What are the key properties of N-[5-[2-chloro-5-(trifluoromethoxy)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
N-[5-[2-chloro-5-(trifluoromethoxy)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide has a molecular weight of 408.77 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-chloro-5-(trifluoromethoxy)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 70978473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).