8-thiophen-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide

C20H13F3N4OS — CID 4163892

IUPAC8-thiophen-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)nc1)c1ccc2cncc(-c3ccsc3)c2n1
InChIInChI=1S/C20H13F3N4OS/c21-20(22,23)17-4-1-12(7-25-17)8-26-19(28)16-3-2-13-9-24-10-15(18(13)27-16)14-5-6-29-11-14/h1-7,9-11H,8H2,(H,26,28)
InChIKeyICXIWYMAFCXHBT-UHFFFAOYSA-N
MW414.41 g/mol
LogP4.70
Rot. Bonds4

About 8-thiophen-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide

8-thiophen-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide (PubChem CID 4163892) has the molecular formula C20H13F3N4OS and a molecular weight of 414.41 g/mol. Its IUPAC name is 8-thiophen-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-thiophen-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide
PubChem CID4163892
Molecular FormulaC20H13F3N4OS
Molecular Weight414.41 g/mol
Exact Mass414.08
IUPAC Name8-thiophen-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)nc1)c1ccc2cncc(-c3ccsc3)c2n1
InChIInChI=1S/C20H13F3N4OS/c21-20(22,23)17-4-1-12(7-25-17)8-26-19(28)16-3-2-13-9-24-10-15(18(13)27-16)14-5-6-29-11-14/h1-7,9-11H,8H2,(H,26,28)
InChIKeyICXIWYMAFCXHBT-UHFFFAOYSA-N
XLogP4.70
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-thiophen-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 8-thiophen-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide (CID 4163892) is 8-thiophen-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-thiophen-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 8-thiophen-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide is O=C(NCc1ccc(C(F)(F)F)nc1)c1ccc2cncc(-c3ccsc3)c2n1.
What is the InChIKey of 8-thiophen-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide?
The InChIKey is ICXIWYMAFCXHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4OS/c21-20(22,23)17-4-1-12(7-25-17)8-26-19(28)16-3-2-13-9-24-10-15(18(13)27-16)14-5-6-29-11-14/h1-7,9-11H,8H2,(H,26,28).
What are the key properties of 8-thiophen-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide?
8-thiophen-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide has a molecular weight of 414.41 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-thiophen-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 4163892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).