3-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenyl]-1,6-naphthyridine-7-carboxamide

C22H16FN3O2 — CID 177349653

IUPAC3-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenyl]-1,6-naphthyridine-7-carboxamide
SMILESNC(=O)c1cc2nc(-c3ccc(CO)cc3)c(-c3ccc(F)cc3)cc2cn1
InChIInChI=1S/C22H16FN3O2/c23-17-7-5-14(6-8-17)18-9-16-11-25-20(22(24)28)10-19(16)26-21(18)15-3-1-13(12-27)2-4-15/h1-11,27H,12H2,(H2,24,28)
InChIKeyKHUIOYLJOLNMLX-UHFFFAOYSA-N
MW373.39 g/mol
LogP3.69
Rot. Bonds4

About 3-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenyl]-1,6-naphthyridine-7-carboxamide

3-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenyl]-1,6-naphthyridine-7-carboxamide (PubChem CID 177349653) has the molecular formula C22H16FN3O2 and a molecular weight of 373.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenyl]-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenyl]-1,6-naphthyridine-7-carboxamide
PubChem CID177349653
Molecular FormulaC22H16FN3O2
Molecular Weight373.39 g/mol
Exact Mass373.12
IUPAC Name3-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenyl]-1,6-naphthyridine-7-carboxamide
SMILESNC(=O)c1cc2nc(-c3ccc(CO)cc3)c(-c3ccc(F)cc3)cc2cn1
InChIInChI=1S/C22H16FN3O2/c23-17-7-5-14(6-8-17)18-9-16-11-25-20(22(24)28)10-19(16)26-21(18)15-3-1-13(12-27)2-4-15/h1-11,27H,12H2,(H2,24,28)
InChIKeyKHUIOYLJOLNMLX-UHFFFAOYSA-N
XLogP3.69
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenyl]-1,6-naphthyridine-7-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenyl]-1,6-naphthyridine-7-carboxamide (CID 177349653) is 3-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenyl]-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenyl]-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenyl]-1,6-naphthyridine-7-carboxamide is NC(=O)c1cc2nc(-c3ccc(CO)cc3)c(-c3ccc(F)cc3)cc2cn1.
What is the InChIKey of 3-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenyl]-1,6-naphthyridine-7-carboxamide?
The InChIKey is KHUIOYLJOLNMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O2/c23-17-7-5-14(6-8-17)18-9-16-11-25-20(22(24)28)10-19(16)26-21(18)15-3-1-13(12-27)2-4-15/h1-11,27H,12H2,(H2,24,28).
What are the key properties of 3-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenyl]-1,6-naphthyridine-7-carboxamide?
3-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenyl]-1,6-naphthyridine-7-carboxamide has a molecular weight of 373.39 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenyl]-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 177349653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).