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

C20H18FN3O2S — CID 129170091

IUPACN-[7-(5-fluoro-2-methylphenyl)-5-methylsulfinyl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(S(C)=O)n1
InChIInChI=1S/C20H18FN3O2S/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)27(2)26/h3,6-10,12H,4-5H2,1-2H3,(H,22,24,25)
InChIKeyQXBJVCVJKZATMB-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.83
Rot. Bonds4

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

N-[7-(5-fluoro-2-methylphenyl)-5-methylsulfinyl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 129170091) has the molecular formula C20H18FN3O2S and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[7-(5-fluoro-2-methylphenyl)-5-methylsulfinyl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-(5-fluoro-2-methylphenyl)-5-methylsulfinyl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
PubChem CID129170091
Molecular FormulaC20H18FN3O2S
Molecular Weight383.45 g/mol
Exact Mass383.11
IUPAC NameN-[7-(5-fluoro-2-methylphenyl)-5-methylsulfinyl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(S(C)=O)n1
InChIInChI=1S/C20H18FN3O2S/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)27(2)26/h3,6-10,12H,4-5H2,1-2H3,(H,22,24,25)
InChIKeyQXBJVCVJKZATMB-UHFFFAOYSA-N
XLogP3.83
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(cyclopropanecarbonylamino)-3-(5-fluoro-2-methylphenyl)-2,6-naphthyridine-1-carboxylic acid
CID 67974903
N-[7-(5-fluoro-2-methylphenyl)-5-(1H-pyrazol-4-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 71115145
N-[8-methyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;molecular hydrogen
CID 142447484
(1R)-N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-2-methylcyclopropane-1-carboxamide
CID 71134963
N-[2-(5-fluoro-2-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide
CID 169097714
N-[7-(5-chloro-2-methoxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide;7-(5-fluoro-2-methylphenyl)isoquinolin-3-amine
CID 129159059
N-[5-(3,4-dimethylanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113032093
2-fluoro-N-[3-(5-fluoro-2-methylphenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 166123806
N-[7-(2-methyl-5-nitrosophenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 88587707
N-[5-cyclopropyl-7-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 171556220
N-[3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]cyclobutanecarboxamide
CID 57411211
N-[7-(4-fluoro-5-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 67974850

Frequently Asked Questions

What is the IUPAC name of N-[7-(5-fluoro-2-methylphenyl)-5-methylsulfinyl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-(5-fluoro-2-methylphenyl)-5-methylsulfinyl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide (CID 129170091) is N-[7-(5-fluoro-2-methylphenyl)-5-methylsulfinyl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-(5-fluoro-2-methylphenyl)-5-methylsulfinyl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-(5-fluoro-2-methylphenyl)-5-methylsulfinyl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide is Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(S(C)=O)n1.
What is the InChIKey of N-[7-(5-fluoro-2-methylphenyl)-5-methylsulfinyl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is QXBJVCVJKZATMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2S/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)27(2)26/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-methylsulfinyl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
N-[7-(5-fluoro-2-methylphenyl)-5-methylsulfinyl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 383.45 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(5-fluoro-2-methylphenyl)-5-methylsulfinyl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 129170091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).