8-(4-fluorophenyl)-N-[1-(4-methylsulfinylphenyl)ethyl]-1,6-naphthyridine-2-carboxamide

C24H20FN3O2S — CID 144631410

IUPAC8-(4-fluorophenyl)-N-[1-(4-methylsulfinylphenyl)ethyl]-1,6-naphthyridine-2-carboxamide
SMILESCC(NC(=O)c1ccc2cncc(-c3ccc(F)cc3)c2n1)c1ccc(S(C)=O)cc1
InChIInChI=1S/C24H20FN3O2S/c1-15(16-5-10-20(11-6-16)31(2)30)27-24(29)22-12-7-18-13-26-14-21(23(18)28-22)17-3-8-19(25)9-4-17/h3-15H,1-2H3,(H,27,29)
InChIKeyJJIAEGMQKZYSGV-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.66
Rot. Bonds5

About 8-(4-fluorophenyl)-N-[1-(4-methylsulfinylphenyl)ethyl]-1,6-naphthyridine-2-carboxamide

8-(4-fluorophenyl)-N-[1-(4-methylsulfinylphenyl)ethyl]-1,6-naphthyridine-2-carboxamide (PubChem CID 144631410) has the molecular formula C24H20FN3O2S and a molecular weight of 433.51 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-N-[1-(4-methylsulfinylphenyl)ethyl]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-(4-fluorophenyl)-N-[1-(4-methylsulfinylphenyl)ethyl]-1,6-naphthyridine-2-carboxamide
PubChem CID144631410
Molecular FormulaC24H20FN3O2S
Molecular Weight433.51 g/mol
Exact Mass433.13
IUPAC Name8-(4-fluorophenyl)-N-[1-(4-methylsulfinylphenyl)ethyl]-1,6-naphthyridine-2-carboxamide
SMILESCC(NC(=O)c1ccc2cncc(-c3ccc(F)cc3)c2n1)c1ccc(S(C)=O)cc1
InChIInChI=1S/C24H20FN3O2S/c1-15(16-5-10-20(11-6-16)31(2)30)27-24(29)22-12-7-18-13-26-14-21(23(18)28-22)17-3-8-19(25)9-4-17/h3-15H,1-2H3,(H,27,29)
InChIKeyJJIAEGMQKZYSGV-UHFFFAOYSA-N
XLogP4.66
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(3-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1,6-naphthyridine-2-carboxamide
CID 75203761
N-[(1S)-1-phenylethyl]-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide
CID 24730432
2-N,6-N-bis[1-(4-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide
CID 46430353
2-amino-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 55116256
6-amino-N-[1-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 55041899
2-(1-aminoethyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81349122
N-[1-(4-chlorophenyl)ethyl]-4-methylsulfinylbenzamide
CID 78797054
5-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 2449849
8-(4-propan-2-yloxyphenyl)-1,6-naphthyridine-2-carboxamide
CID 75203883
4-(4-fluorophenyl)-5-(4-methylsulfinylphenyl)-1,2-oxazole
CID 101110708
3-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-pyridin-4-ylbenzamide
CID 68515087
N-[1-(4-fluorophenyl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide
CID 59170223

Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-N-[1-(4-methylsulfinylphenyl)ethyl]-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 8-(4-fluorophenyl)-N-[1-(4-methylsulfinylphenyl)ethyl]-1,6-naphthyridine-2-carboxamide (CID 144631410) is 8-(4-fluorophenyl)-N-[1-(4-methylsulfinylphenyl)ethyl]-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-(4-fluorophenyl)-N-[1-(4-methylsulfinylphenyl)ethyl]-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 8-(4-fluorophenyl)-N-[1-(4-methylsulfinylphenyl)ethyl]-1,6-naphthyridine-2-carboxamide is CC(NC(=O)c1ccc2cncc(-c3ccc(F)cc3)c2n1)c1ccc(S(C)=O)cc1.
What is the InChIKey of 8-(4-fluorophenyl)-N-[1-(4-methylsulfinylphenyl)ethyl]-1,6-naphthyridine-2-carboxamide?
The InChIKey is JJIAEGMQKZYSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O2S/c1-15(16-5-10-20(11-6-16)31(2)30)27-24(29)22-12-7-18-13-26-14-21(23(18)28-22)17-3-8-19(25)9-4-17/h3-15H,1-2H3,(H,27,29).
What are the key properties of 8-(4-fluorophenyl)-N-[1-(4-methylsulfinylphenyl)ethyl]-1,6-naphthyridine-2-carboxamide?
8-(4-fluorophenyl)-N-[1-(4-methylsulfinylphenyl)ethyl]-1,6-naphthyridine-2-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-N-[1-(4-methylsulfinylphenyl)ethyl]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 144631410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).