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

C17H8ClF5N4O — CID 58683993

IUPACN-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide
SMILESO=C(Nc1cnc(-c2cc(C(F)(F)F)ccc2Cl)cn1)c1c(F)cncc1F
InChIInChI=1S/C17H8ClF5N4O/c18-10-2-1-8(17(21,22)23)3-9(10)13-6-26-14(7-25-13)27-16(28)15-11(19)4-24-5-12(15)20/h1-7H,(H,26,27,28)
InChIKeyJIJDXRHJPPFBJD-UHFFFAOYSA-N
MW414.72 g/mol
LogP4.74
Rot. Bonds3

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

N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide (PubChem CID 58683993) has the molecular formula C17H8ClF5N4O and a molecular weight of 414.72 g/mol. Its IUPAC name is N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide
PubChem CID58683993
Molecular FormulaC17H8ClF5N4O
Molecular Weight414.72 g/mol
Exact Mass414.03
IUPAC NameN-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide
SMILESO=C(Nc1cnc(-c2cc(C(F)(F)F)ccc2Cl)cn1)c1c(F)cncc1F
InChIInChI=1S/C17H8ClF5N4O/c18-10-2-1-8(17(21,22)23)3-9(10)13-6-26-14(7-25-13)27-16(28)15-11(19)4-24-5-12(15)20/h1-7H,(H,26,27,28)
InChIKeyJIJDXRHJPPFBJD-UHFFFAOYSA-N
XLogP4.74
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.72
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide;3-methylpyridine-4-carbonyl chloride
CID 160860559
3-fluoro-N-[5-[2-methyl-5-(trifluoromethyl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide
CID 58683977
carbon dioxide;N-[5-(2,5-dimethylphenyl)pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide
CID 161010800
ethyl 4-chloro-3-[5-[(2,6-difluorobenzoyl)amino]pyrazin-2-yl]benzoate
CID 11625878
ethenyl 3-[5-[(3,5-difluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-N,4-dimethylbenzenecarboximidothioate
CID 70323306
N-[5-(5-cyano-2-methylphenyl)pyrazin-2-yl]-3-fluoro-5-methylpyridine-4-carboxamide
CID 70320228
N-[5-[2-chloro-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide
CID 71010141
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide
CID 17173190
2-chloro-N-pyrazin-2-yl-4-(trifluoromethyl)benzamide
CID 75508828
N-(5-chloropyrazin-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 107595663
N-[5-[3-ethyl-3-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide
CID 118378709
N-[5-[5-(dimethylamino)-2,4-dimethylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide
CID 123961804

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide?
The IUPAC name of N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide (CID 58683993) is N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide.
What is the SMILES notation for N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide?
The canonical SMILES for N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide is O=C(Nc1cnc(-c2cc(C(F)(F)F)ccc2Cl)cn1)c1c(F)cncc1F.
What is the InChIKey of N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide?
The InChIKey is JIJDXRHJPPFBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8ClF5N4O/c18-10-2-1-8(17(21,22)23)3-9(10)13-6-26-14(7-25-13)27-16(28)15-11(19)4-24-5-12(15)20/h1-7H,(H,26,27,28).
What are the key properties of N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide?
N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide has a molecular weight of 414.72 g/mol, XLogP of 4.74, 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]-3,5-difluoropyridine-4-carboxamide is sourced from PubChem (CID 58683993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).