6-(5-acetylthiophen-2-yl)-2-(pyridin-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C20H17F3N4O2S — CID 126474249

IUPAC6-(5-acetylthiophen-2-yl)-2-(pyridin-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCC(=O)c1ccc(-c2ccc(C(=O)NCC(F)(F)F)c(NCc3cccnc3)n2)s1
InChIInChI=1S/C20H17F3N4O2S/c1-12(28)16-6-7-17(30-16)15-5-4-14(19(29)26-11-20(21,22)23)18(27-15)25-10-13-3-2-8-24-9-13/h2-9H,10-11H2,1H3,(H,25,27)(H,26,29)
InChIKeyLGJNFFUVWWLSIB-UHFFFAOYSA-N
MW434.44 g/mol
LogP4.31
Rot. Bonds7

About 6-(5-acetylthiophen-2-yl)-2-(pyridin-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

6-(5-acetylthiophen-2-yl)-2-(pyridin-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 126474249) has the molecular formula C20H17F3N4O2S and a molecular weight of 434.44 g/mol. Its IUPAC name is 6-(5-acetylthiophen-2-yl)-2-(pyridin-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-acetylthiophen-2-yl)-2-(pyridin-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID126474249
Molecular FormulaC20H17F3N4O2S
Molecular Weight434.44 g/mol
Exact Mass434.10
IUPAC Name6-(5-acetylthiophen-2-yl)-2-(pyridin-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCC(=O)c1ccc(-c2ccc(C(=O)NCC(F)(F)F)c(NCc3cccnc3)n2)s1
InChIInChI=1S/C20H17F3N4O2S/c1-12(28)16-6-7-17(30-16)15-5-4-14(19(29)26-11-20(21,22)23)18(27-15)25-10-13-3-2-8-24-9-13/h2-9H,10-11H2,1H3,(H,25,27)(H,26,29)
InChIKeyLGJNFFUVWWLSIB-UHFFFAOYSA-N
XLogP4.31
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(5-acetylthiophen-2-yl)-2-(pyridin-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

6-(furan-2-yl)-N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 126473939
1-[5-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophen-2-yl]ethanone
CID 56908537
N-[4-(pyridin-3-ylmethylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]hydroxylamine
CID 134108507
N-methyl-2-(pyridin-4-ylmethylamino)-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 25234959
N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 126471732
N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 29039345
6-phenyl-2-(2-pyridin-2-ylethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 25031781
2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479
2-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 110694215
2-fluoro-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzamide
CID 79883496
N-(1,3-benzodioxol-5-yl)-6-phenyl-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 126473562
5-methyl-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide
CID 110691661

Frequently Asked Questions

What is the IUPAC name of 6-(5-acetylthiophen-2-yl)-2-(pyridin-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(5-acetylthiophen-2-yl)-2-(pyridin-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 126474249) is 6-(5-acetylthiophen-2-yl)-2-(pyridin-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(5-acetylthiophen-2-yl)-2-(pyridin-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(5-acetylthiophen-2-yl)-2-(pyridin-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is CC(=O)c1ccc(-c2ccc(C(=O)NCC(F)(F)F)c(NCc3cccnc3)n2)s1.
What is the InChIKey of 6-(5-acetylthiophen-2-yl)-2-(pyridin-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is LGJNFFUVWWLSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O2S/c1-12(28)16-6-7-17(30-16)15-5-4-14(19(29)26-11-20(21,22)23)18(27-15)25-10-13-3-2-8-24-9-13/h2-9H,10-11H2,1H3,(H,25,27)(H,26,29).
What are the key properties of 6-(5-acetylthiophen-2-yl)-2-(pyridin-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
6-(5-acetylthiophen-2-yl)-2-(pyridin-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 434.44 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-acetylthiophen-2-yl)-2-(pyridin-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 126474249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).