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

C22H15F3N4O — CID 4290642

IUPAC8-phenyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)nc1)c1ccc2cncc(-c3ccccc3)c2n1
InChIInChI=1S/C22H15F3N4O/c23-22(24,25)19-9-6-14(10-27-19)11-28-21(30)18-8-7-16-12-26-13-17(20(16)29-18)15-4-2-1-3-5-15/h1-10,12-13H,11H2,(H,28,30)
InChIKeyJNRPQFURBHJPDB-UHFFFAOYSA-N
MW408.38 g/mol
LogP4.64
Rot. Bonds4

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

8-phenyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide (PubChem CID 4290642) has the molecular formula C22H15F3N4O and a molecular weight of 408.38 g/mol. Its IUPAC name is 8-phenyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-phenyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide
PubChem CID4290642
Molecular FormulaC22H15F3N4O
Molecular Weight408.38 g/mol
Exact Mass408.12
IUPAC Name8-phenyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)nc1)c1ccc2cncc(-c3ccccc3)c2n1
InChIInChI=1S/C22H15F3N4O/c23-22(24,25)19-9-6-14(10-27-19)11-28-21(30)18-8-7-16-12-26-13-17(20(16)29-18)15-4-2-1-3-5-15/h1-10,12-13H,11H2,(H,28,30)
InChIKeyJNRPQFURBHJPDB-UHFFFAOYSA-N
XLogP4.64
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-phenyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 8-phenyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide (CID 4290642) is 8-phenyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-phenyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 8-phenyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide is O=C(NCc1ccc(C(F)(F)F)nc1)c1ccc2cncc(-c3ccccc3)c2n1.
What is the InChIKey of 8-phenyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide?
The InChIKey is JNRPQFURBHJPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N4O/c23-22(24,25)19-9-6-14(10-27-19)11-28-21(30)18-8-7-16-12-26-13-17(20(16)29-18)15-4-2-1-3-5-15/h1-10,12-13H,11H2,(H,28,30).
What are the key properties of 8-phenyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide?
8-phenyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide has a molecular weight of 408.38 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 4290642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).