2-(propanoylamino)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyridine-4-carboxamide

C17H16F3N3O2S — CID 56966803

IUPAC2-(propanoylamino)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyridine-4-carboxamide
SMILESCCC(=O)Nc1cc(C(=O)NCc2ccc(SC(F)(F)F)cc2)ccn1
InChIInChI=1S/C17H16F3N3O2S/c1-2-15(24)23-14-9-12(7-8-21-14)16(25)22-10-11-3-5-13(6-4-11)26-17(18,19)20/h3-9H,2,10H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyINPHZASUHUJHCW-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.97
Rot. Bonds6

About 2-(propanoylamino)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyridine-4-carboxamide

2-(propanoylamino)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyridine-4-carboxamide (PubChem CID 56966803) has the molecular formula C17H16F3N3O2S and a molecular weight of 383.40 g/mol. Its IUPAC name is 2-(propanoylamino)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(propanoylamino)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyridine-4-carboxamide
PubChem CID56966803
Molecular FormulaC17H16F3N3O2S
Molecular Weight383.40 g/mol
Exact Mass383.09
IUPAC Name2-(propanoylamino)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyridine-4-carboxamide
SMILESCCC(=O)Nc1cc(C(=O)NCc2ccc(SC(F)(F)F)cc2)ccn1
InChIInChI=1S/C17H16F3N3O2S/c1-2-15(24)23-14-9-12(7-8-21-14)16(25)22-10-11-3-5-13(6-4-11)26-17(18,19)20/h3-9H,2,10H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyINPHZASUHUJHCW-UHFFFAOYSA-N
XLogP3.97
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide
CID 67511291
N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-5-methyl-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide
CID 162566103
2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 62166427
2-acetamido-N-[[4-(2,2-difluoropropoxy)-3-methoxyphenyl]methyl]pyridine-4-carboxamide
CID 162566379
2-acetamido-N-[[3-methyl-5-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 67509879
N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]imidazo[1,2-a]pyrazine-3-carboxamide
CID 171680277
2-(cyclopropanecarbonylamino)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 67509417
N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67510384
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(trifluoromethylsulfanyl)benzamide
CID 55742686
2-acetamido-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67509489
N-[[2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide
CID 67509130
methyl 2-(propanoylamino)pyridine-4-carboxylate
CID 67508364

Frequently Asked Questions

What is the IUPAC name of 2-(propanoylamino)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2-(propanoylamino)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyridine-4-carboxamide (CID 56966803) is 2-(propanoylamino)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(propanoylamino)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(propanoylamino)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyridine-4-carboxamide is CCC(=O)Nc1cc(C(=O)NCc2ccc(SC(F)(F)F)cc2)ccn1.
What is the InChIKey of 2-(propanoylamino)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is INPHZASUHUJHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2S/c1-2-15(24)23-14-9-12(7-8-21-14)16(25)22-10-11-3-5-13(6-4-11)26-17(18,19)20/h3-9H,2,10H2,1H3,(H,22,25)(H,21,23,24).
What are the key properties of 2-(propanoylamino)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyridine-4-carboxamide?
2-(propanoylamino)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 383.40 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propanoylamino)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 56966803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).