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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Related Compounds

Benzo[b]thiophen-3-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606339
N-(thiophen-2-ylmethyl)quinoline-2-carboxamide
CID 2490964
[4-Fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-phenylthiophen-2-yl)methanone
CID 42606107
[4-Fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone
CID 42606218
[4-Fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-thiophen-2-ylthiophen-2-yl)methanone
CID 42606219
Benzo[b]thiophen-2-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606337
(4-Fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)(thieno[3,2-b]thiophen-2-yl)methanone
CID 42606340
4-(1-benzothiophen-2-yl)-6-N-[(2R)-3-methylbutan-2-yl]-2-N-(2-pyridin-2-ylethyl)pyridine-2,6-dicarboxamide
CID 71450426
Hdac1/2-IN-3
CID 130319550
N-[4-[(3R,4S,5S)-3-amino-5-methyl-4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 72548668
US9776991, Example 16
CID 118112903
Thiophene-2-carboxylic acid (cyclohexylcarbamoyl-quinolin-6-yl-methyl)-thiophen-2-ylmethyl-amide
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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).