N-(1-benzothiophen-5-yl)-2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]-N-methylacetamide

C19H15F3N4OS — CID 165002548

IUPACN-(1-benzothiophen-5-yl)-2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]-N-methylacetamide
SMILESCc1cc(C(F)(F)F)nc(NCC(=O)N(C)c2ccc3sccc3c2)c1C#N
InChIInChI=1S/C19H15F3N4OS/c1-11-7-16(19(20,21)22)25-18(14(11)9-23)24-10-17(27)26(2)13-3-4-15-12(8-13)5-6-28-15/h3-8H,10H2,1-2H3,(H,24,25)
InChIKeyILUFXLCCJUBJBQ-UHFFFAOYSA-N
MW404.42 g/mol
LogP4.57
Rot. Bonds4

About N-(1-benzothiophen-5-yl)-2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]-N-methylacetamide

N-(1-benzothiophen-5-yl)-2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]-N-methylacetamide (PubChem CID 165002548) has the molecular formula C19H15F3N4OS and a molecular weight of 404.42 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]-N-methylacetamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]-N-methylacetamide
PubChem CID165002548
Molecular FormulaC19H15F3N4OS
Molecular Weight404.42 g/mol
Exact Mass404.09
IUPAC NameN-(1-benzothiophen-5-yl)-2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]-N-methylacetamide
SMILESCc1cc(C(F)(F)F)nc(NCC(=O)N(C)c2ccc3sccc3c2)c1C#N
InChIInChI=1S/C19H15F3N4OS/c1-11-7-16(19(20,21)22)25-18(14(11)9-23)24-10-17(27)26(2)13-3-4-15-12(8-13)5-6-28-15/h3-8H,10H2,1-2H3,(H,24,25)
InChIKeyILUFXLCCJUBJBQ-UHFFFAOYSA-N
XLogP4.57
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-benzothiophen-5-yl)-2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]-N-methylacetamide with MolForge

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Related Compounds

2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]-N-methyl-N-quinazolin-6-ylacetamide
CID 165108690
N'-[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-methylpropanehydrazide
CID 10803099
2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N,N-diphenylacetamide
CID 1230643
N-(1,3-benzothiazol-2-yl)-2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]acetamide
CID 169107325
2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanoic acid
CID 53269873
N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]acetamide
CID 78911718
ethyl 2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetate
CID 56691280
4,6-dimethyl-2-(3,3,3-trifluoropropylamino)pyridine-3-carbonitrile
CID 63226839
2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxy]acetamide
CID 1229880
2-amino-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 130681330
N-(2,2,2-trifluoroethyl)-1-benzothiophen-5-amine
CID 65475860
2-[[3-cyano-4-thiophen-2-yl-6-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid
CID 56688107

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]-N-methylacetamide?
The IUPAC name of N-(1-benzothiophen-5-yl)-2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]-N-methylacetamide (CID 165002548) is N-(1-benzothiophen-5-yl)-2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]-N-methylacetamide.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]-N-methylacetamide?
The canonical SMILES for N-(1-benzothiophen-5-yl)-2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]-N-methylacetamide is Cc1cc(C(F)(F)F)nc(NCC(=O)N(C)c2ccc3sccc3c2)c1C#N.
What is the InChIKey of N-(1-benzothiophen-5-yl)-2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]-N-methylacetamide?
The InChIKey is ILUFXLCCJUBJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4OS/c1-11-7-16(19(20,21)22)25-18(14(11)9-23)24-10-17(27)26(2)13-3-4-15-12(8-13)5-6-28-15/h3-8H,10H2,1-2H3,(H,24,25).
What are the key properties of N-(1-benzothiophen-5-yl)-2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]-N-methylacetamide?
N-(1-benzothiophen-5-yl)-2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]-N-methylacetamide has a molecular weight of 404.42 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)-2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]-N-methylacetamide is sourced from PubChem (CID 165002548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).