6-acetyl-3-amino-N-(4-tert-butylphenyl)-4-(trifluoromethyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide

C24H25F3N4O2S — CID 1301875

IUPAC6-acetyl-3-amino-N-(4-tert-butylphenyl)-4-(trifluoromethyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESCC(=O)N1CCc2nc3sc(C(=O)Nc4ccc(C(C)(C)C)cc4)c(N)c3c(C(F)(F)F)c2C1
InChIInChI=1S/C24H25F3N4O2S/c1-12(32)31-10-9-16-15(11-31)18(24(25,26)27)17-19(28)20(34-22(17)30-16)21(33)29-14-7-5-13(6-8-14)23(2,3)4/h5-8H,9-11,28H2,1-4H3,(H,29,33)
InChIKeyUSHLJWLXFGJJLR-UHFFFAOYSA-N
MW490.55 g/mol
LogP5.35
Rot. Bonds2

About 6-acetyl-3-amino-N-(4-tert-butylphenyl)-4-(trifluoromethyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide

6-acetyl-3-amino-N-(4-tert-butylphenyl)-4-(trifluoromethyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (PubChem CID 1301875) has the molecular formula C24H25F3N4O2S and a molecular weight of 490.55 g/mol. Its IUPAC name is 6-acetyl-3-amino-N-(4-tert-butylphenyl)-4-(trifluoromethyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide.

Molecular Properties

Compound Name6-acetyl-3-amino-N-(4-tert-butylphenyl)-4-(trifluoromethyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
PubChem CID1301875
Molecular FormulaC24H25F3N4O2S
Molecular Weight490.55 g/mol
Exact Mass490.17
IUPAC Name6-acetyl-3-amino-N-(4-tert-butylphenyl)-4-(trifluoromethyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESCC(=O)N1CCc2nc3sc(C(=O)Nc4ccc(C(C)(C)C)cc4)c(N)c3c(C(F)(F)F)c2C1
InChIInChI=1S/C24H25F3N4O2S/c1-12(32)31-10-9-16-15(11-31)18(24(25,26)27)17-19(28)20(34-22(17)30-16)21(33)29-14-7-5-13(6-8-14)23(2,3)4/h5-8H,9-11,28H2,1-4H3,(H,29,33)
InChIKeyUSHLJWLXFGJJLR-UHFFFAOYSA-N
XLogP5.35
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.55
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-3-amino-N-(4-tert-butylphenyl)-4-(trifluoromethyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The IUPAC name of 6-acetyl-3-amino-N-(4-tert-butylphenyl)-4-(trifluoromethyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (CID 1301875) is 6-acetyl-3-amino-N-(4-tert-butylphenyl)-4-(trifluoromethyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide.
What is the SMILES notation for 6-acetyl-3-amino-N-(4-tert-butylphenyl)-4-(trifluoromethyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The canonical SMILES for 6-acetyl-3-amino-N-(4-tert-butylphenyl)-4-(trifluoromethyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is CC(=O)N1CCc2nc3sc(C(=O)Nc4ccc(C(C)(C)C)cc4)c(N)c3c(C(F)(F)F)c2C1.
What is the InChIKey of 6-acetyl-3-amino-N-(4-tert-butylphenyl)-4-(trifluoromethyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The InChIKey is USHLJWLXFGJJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O2S/c1-12(32)31-10-9-16-15(11-31)18(24(25,26)27)17-19(28)20(34-22(17)30-16)21(33)29-14-7-5-13(6-8-14)23(2,3)4/h5-8H,9-11,28H2,1-4H3,(H,29,33).
What are the key properties of 6-acetyl-3-amino-N-(4-tert-butylphenyl)-4-(trifluoromethyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
6-acetyl-3-amino-N-(4-tert-butylphenyl)-4-(trifluoromethyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide has a molecular weight of 490.55 g/mol, XLogP of 5.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-3-amino-N-(4-tert-butylphenyl)-4-(trifluoromethyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is sourced from PubChem (CID 1301875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).