2-[2-fluoro-5-[7-(trifluoromethyl)-1,8-naphthyridin-4-yl]phenyl]pyridine-3-carboxamide

C21H12F4N4O — CID 10295140

IUPAC2-[2-fluoro-5-[7-(trifluoromethyl)-1,8-naphthyridin-4-yl]phenyl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1-c1cc(-c2ccnc3nc(C(F)(F)F)ccc23)ccc1F
InChIInChI=1S/C21H12F4N4O/c22-16-5-3-11(10-15(16)18-14(19(26)30)2-1-8-27-18)12-7-9-28-20-13(12)4-6-17(29-20)21(23,24)25/h1-10H,(H2,26,30)
InChIKeyKLHJFXISPWCQAH-UHFFFAOYSA-N
MW412.35 g/mol
LogP4.62
Rot. Bonds3

About 2-[2-fluoro-5-[7-(trifluoromethyl)-1,8-naphthyridin-4-yl]phenyl]pyridine-3-carboxamide

2-[2-fluoro-5-[7-(trifluoromethyl)-1,8-naphthyridin-4-yl]phenyl]pyridine-3-carboxamide (PubChem CID 10295140) has the molecular formula C21H12F4N4O and a molecular weight of 412.35 g/mol. Its IUPAC name is 2-[2-fluoro-5-[7-(trifluoromethyl)-1,8-naphthyridin-4-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-fluoro-5-[7-(trifluoromethyl)-1,8-naphthyridin-4-yl]phenyl]pyridine-3-carboxamide
PubChem CID10295140
Molecular FormulaC21H12F4N4O
Molecular Weight412.35 g/mol
Exact Mass412.09
IUPAC Name2-[2-fluoro-5-[7-(trifluoromethyl)-1,8-naphthyridin-4-yl]phenyl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1-c1cc(-c2ccnc3nc(C(F)(F)F)ccc23)ccc1F
InChIInChI=1S/C21H12F4N4O/c22-16-5-3-11(10-15(16)18-14(19(26)30)2-1-8-27-18)12-7-9-28-20-13(12)4-6-17(29-20)21(23,24)25/h1-10H,(H2,26,30)
InChIKeyKLHJFXISPWCQAH-UHFFFAOYSA-N
XLogP4.62
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.35
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-[7-(trifluoromethyl)-1,8-naphthyridin-4-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-[2-fluoro-5-[7-(trifluoromethyl)-1,8-naphthyridin-4-yl]phenyl]pyridine-3-carboxamide (CID 10295140) is 2-[2-fluoro-5-[7-(trifluoromethyl)-1,8-naphthyridin-4-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-fluoro-5-[7-(trifluoromethyl)-1,8-naphthyridin-4-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[2-fluoro-5-[7-(trifluoromethyl)-1,8-naphthyridin-4-yl]phenyl]pyridine-3-carboxamide is NC(=O)c1cccnc1-c1cc(-c2ccnc3nc(C(F)(F)F)ccc23)ccc1F.
What is the InChIKey of 2-[2-fluoro-5-[7-(trifluoromethyl)-1,8-naphthyridin-4-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is KLHJFXISPWCQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F4N4O/c22-16-5-3-11(10-15(16)18-14(19(26)30)2-1-8-27-18)12-7-9-28-20-13(12)4-6-17(29-20)21(23,24)25/h1-10H,(H2,26,30).
What are the key properties of 2-[2-fluoro-5-[7-(trifluoromethyl)-1,8-naphthyridin-4-yl]phenyl]pyridine-3-carboxamide?
2-[2-fluoro-5-[7-(trifluoromethyl)-1,8-naphthyridin-4-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 412.35 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-[7-(trifluoromethyl)-1,8-naphthyridin-4-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 10295140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).