N-[7-(5-fluoro-2-methylphenyl)-5-methylsulfonyl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide

C20H18FN3O3S — CID 67976360

IUPACN-[7-(5-fluoro-2-methylphenyl)-5-methylsulfonyl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(S(C)(=O)=O)n1
InChIInChI=1S/C20H18FN3O3S/c1-11-3-6-14(21)8-15(11)17-7-13-10-22-18(24-19(25)12-4-5-12)9-16(13)20(23-17)28(2,26)27/h3,6-10,12H,4-5H2,1-2H3,(H,22,24,25)
InChIKeyCJTDFLCWYUMWKH-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.50
Rot. Bonds4

About N-[7-(5-fluoro-2-methylphenyl)-5-methylsulfonyl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide

N-[7-(5-fluoro-2-methylphenyl)-5-methylsulfonyl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 67976360) has the molecular formula C20H18FN3O3S and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[7-(5-fluoro-2-methylphenyl)-5-methylsulfonyl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-(5-fluoro-2-methylphenyl)-5-methylsulfonyl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
PubChem CID67976360
Molecular FormulaC20H18FN3O3S
Molecular Weight399.45 g/mol
Exact Mass399.11
IUPAC NameN-[7-(5-fluoro-2-methylphenyl)-5-methylsulfonyl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(S(C)(=O)=O)n1
InChIInChI=1S/C20H18FN3O3S/c1-11-3-6-14(21)8-15(11)17-7-13-10-22-18(24-19(25)12-4-5-12)9-16(13)20(23-17)28(2,26)27/h3,6-10,12H,4-5H2,1-2H3,(H,22,24,25)
InChIKeyCJTDFLCWYUMWKH-UHFFFAOYSA-N
XLogP3.50
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[7-(5-fluoro-2-methylphenyl)-5-methylsulfonyl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-(5-fluoro-2-methylphenyl)-5-methylsulfonyl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide (CID 67976360) is N-[7-(5-fluoro-2-methylphenyl)-5-methylsulfonyl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-(5-fluoro-2-methylphenyl)-5-methylsulfonyl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-(5-fluoro-2-methylphenyl)-5-methylsulfonyl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide is Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(S(C)(=O)=O)n1.
What is the InChIKey of N-[7-(5-fluoro-2-methylphenyl)-5-methylsulfonyl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is CJTDFLCWYUMWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3S/c1-11-3-6-14(21)8-15(11)17-7-13-10-22-18(24-19(25)12-4-5-12)9-16(13)20(23-17)28(2,26)27/h3,6-10,12H,4-5H2,1-2H3,(H,22,24,25).
What are the key properties of N-[7-(5-fluoro-2-methylphenyl)-5-methylsulfonyl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
N-[7-(5-fluoro-2-methylphenyl)-5-methylsulfonyl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 399.45 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(5-fluoro-2-methylphenyl)-5-methylsulfonyl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 67976360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).