N-(5-fluoro-3-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C21H16F4N4O — CID 53233881

IUPACN-(5-fluoro-3-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESO=C(Nc1cncc(F)c1)N1CCCc2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C21H16F4N4O/c22-16-10-17(12-26-11-16)27-20(30)29-8-2-4-13-6-7-18(28-19(13)29)14-3-1-5-15(9-14)21(23,24)25/h1,3,5-7,9-12H,2,4,8H2,(H,27,30)
InChIKeyMQONUFLGAQAAAN-UHFFFAOYSA-N
MW416.38 g/mol
LogP5.29
Rot. Bonds2

About N-(5-fluoro-3-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-(5-fluoro-3-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 53233881) has the molecular formula C21H16F4N4O and a molecular weight of 416.38 g/mol. Its IUPAC name is N-(5-fluoro-3-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-3-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID53233881
Molecular FormulaC21H16F4N4O
Molecular Weight416.38 g/mol
Exact Mass416.13
IUPAC NameN-(5-fluoro-3-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESO=C(Nc1cncc(F)c1)N1CCCc2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C21H16F4N4O/c22-16-10-17(12-26-11-16)27-20(30)29-8-2-4-13-6-7-18(28-19(13)29)14-3-1-5-15(9-14)21(23,24)25/h1,3,5-7,9-12H,2,4,8H2,(H,27,30)
InChIKeyMQONUFLGAQAAAN-UHFFFAOYSA-N
XLogP5.29
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.38
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-3-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-(5-fluoro-3-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 53233881) is N-(5-fluoro-3-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-(5-fluoro-3-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-(5-fluoro-3-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is O=C(Nc1cncc(F)c1)N1CCCc2ccc(-c3cccc(C(F)(F)F)c3)nc21.
What is the InChIKey of N-(5-fluoro-3-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is MQONUFLGAQAAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4N4O/c22-16-10-17(12-26-11-16)27-20(30)29-8-2-4-13-6-7-18(28-19(13)29)14-3-1-5-15(9-14)21(23,24)25/h1,3,5-7,9-12H,2,4,8H2,(H,27,30).
What are the key properties of N-(5-fluoro-3-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-(5-fluoro-3-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 416.38 g/mol, XLogP of 5.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-3-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 53233881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).