N-[2-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]carbamoyl]phenyl]thiophene-3-carboxamide

C18H12F3N3O3S — CID 56522082

IUPACN-[2-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]carbamoyl]phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)c1ccsc1
InChIInChI=1S/C18H12F3N3O3S/c19-18(20,21)11-7-14(17(27)22-8-11)24-16(26)12-3-1-2-4-13(12)23-15(25)10-5-6-28-9-10/h1-9H,(H,22,27)(H,23,25)(H,24,26)
InChIKeyAQNQRPSEKKPXTM-UHFFFAOYSA-N
MW407.37 g/mol
LogP3.96
Rot. Bonds4

About N-[2-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]carbamoyl]phenyl]thiophene-3-carboxamide

N-[2-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]carbamoyl]phenyl]thiophene-3-carboxamide (PubChem CID 56522082) has the molecular formula C18H12F3N3O3S and a molecular weight of 407.37 g/mol. Its IUPAC name is N-[2-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]carbamoyl]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]carbamoyl]phenyl]thiophene-3-carboxamide
PubChem CID56522082
Molecular FormulaC18H12F3N3O3S
Molecular Weight407.37 g/mol
Exact Mass407.06
IUPAC NameN-[2-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]carbamoyl]phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)c1ccsc1
InChIInChI=1S/C18H12F3N3O3S/c19-18(20,21)11-7-14(17(27)22-8-11)24-16(26)12-3-1-2-4-13(12)23-15(25)10-5-6-28-9-10/h1-9H,(H,22,27)(H,23,25)(H,24,26)
InChIKeyAQNQRPSEKKPXTM-UHFFFAOYSA-N
XLogP3.96
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.37
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-4-(trifluoromethoxy)benzamide
CID 55488373
3-methylsulfanyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyridine-4-carboxamide
CID 66897712
1,3-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55737389
3-(thiophene-3-carbonylamino)-5-(trifluoromethyl)benzoic acid
CID 61234942
tert-butyl N-[2-fluoro-5-[[2-(thiophene-3-carbonylamino)benzoyl]amino]phenyl]carbamate
CID 55969188
4-(3,5-dimethylpyrazol-1-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]benzamide
CID 55794847
1-(2-chlorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrazole-3-carboxamide
CID 49327084
N-[2-[(4-propan-2-yloxyphenyl)carbamoyl]phenyl]thiophene-3-carboxamide
CID 60555404
2-methoxy-N-[3-methyl-1-oxo-1-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]butan-2-yl]benzamide
CID 56521557
1-(3-bromophenyl)-2,5-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrole-3-carboxamide
CID 55993941
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropanecarboxamide
CID 47137245
N-(2-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 60592332

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]carbamoyl]phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]carbamoyl]phenyl]thiophene-3-carboxamide (CID 56522082) is N-[2-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]carbamoyl]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]carbamoyl]phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]carbamoyl]phenyl]thiophene-3-carboxamide is O=C(Nc1ccccc1C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)c1ccsc1.
What is the InChIKey of N-[2-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]carbamoyl]phenyl]thiophene-3-carboxamide?
The InChIKey is AQNQRPSEKKPXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O3S/c19-18(20,21)11-7-14(17(27)22-8-11)24-16(26)12-3-1-2-4-13(12)23-15(25)10-5-6-28-9-10/h1-9H,(H,22,27)(H,23,25)(H,24,26).
What are the key properties of N-[2-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]carbamoyl]phenyl]thiophene-3-carboxamide?
N-[2-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]carbamoyl]phenyl]thiophene-3-carboxamide has a molecular weight of 407.37 g/mol, XLogP of 3.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]carbamoyl]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 56522082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).