N-[2-(5-fluoro-2-methylphenyl)-4-oxo-1H-1,7-naphthyridin-6-yl]cyclopropanecarboxamide

C19H16FN3O2 — CID 67974895

IUPACN-[2-(5-fluoro-2-methylphenyl)-4-oxo-1H-1,7-naphthyridin-6-yl]cyclopropanecarboxamide
SMILESCc1ccc(F)cc1-c1cc(=O)c2cc(NC(=O)C3CC3)ncc2[nH]1
InChIInChI=1S/C19H16FN3O2/c1-10-2-5-12(20)6-13(10)15-8-17(24)14-7-18(21-9-16(14)22-15)23-19(25)11-3-4-11/h2,5-9,11H,3-4H2,1H3,(H,22,24)(H,21,23,25)
InChIKeyTVIZIXCYMOCLRG-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.39
Rot. Bonds3

About N-[2-(5-fluoro-2-methylphenyl)-4-oxo-1H-1,7-naphthyridin-6-yl]cyclopropanecarboxamide

N-[2-(5-fluoro-2-methylphenyl)-4-oxo-1H-1,7-naphthyridin-6-yl]cyclopropanecarboxamide (PubChem CID 67974895) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is N-[2-(5-fluoro-2-methylphenyl)-4-oxo-1H-1,7-naphthyridin-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-2-methylphenyl)-4-oxo-1H-1,7-naphthyridin-6-yl]cyclopropanecarboxamide
PubChem CID67974895
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC NameN-[2-(5-fluoro-2-methylphenyl)-4-oxo-1H-1,7-naphthyridin-6-yl]cyclopropanecarboxamide
SMILESCc1ccc(F)cc1-c1cc(=O)c2cc(NC(=O)C3CC3)ncc2[nH]1
InChIInChI=1S/C19H16FN3O2/c1-10-2-5-12(20)6-13(10)15-8-17(24)14-7-18(21-9-16(14)22-15)23-19(25)11-3-4-11/h2,5-9,11H,3-4H2,1H3,(H,22,24)(H,21,23,25)
InChIKeyTVIZIXCYMOCLRG-UHFFFAOYSA-N
XLogP3.39
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-2-methylphenyl)-4-oxo-1H-1,7-naphthyridin-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(5-fluoro-2-methylphenyl)-4-oxo-1H-1,7-naphthyridin-6-yl]cyclopropanecarboxamide (CID 67974895) is N-[2-(5-fluoro-2-methylphenyl)-4-oxo-1H-1,7-naphthyridin-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(5-fluoro-2-methylphenyl)-4-oxo-1H-1,7-naphthyridin-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(5-fluoro-2-methylphenyl)-4-oxo-1H-1,7-naphthyridin-6-yl]cyclopropanecarboxamide is Cc1ccc(F)cc1-c1cc(=O)c2cc(NC(=O)C3CC3)ncc2[nH]1.
What is the InChIKey of N-[2-(5-fluoro-2-methylphenyl)-4-oxo-1H-1,7-naphthyridin-6-yl]cyclopropanecarboxamide?
The InChIKey is TVIZIXCYMOCLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-10-2-5-12(20)6-13(10)15-8-17(24)14-7-18(21-9-16(14)22-15)23-19(25)11-3-4-11/h2,5-9,11H,3-4H2,1H3,(H,22,24)(H,21,23,25).
What are the key properties of N-[2-(5-fluoro-2-methylphenyl)-4-oxo-1H-1,7-naphthyridin-6-yl]cyclopropanecarboxamide?
N-[2-(5-fluoro-2-methylphenyl)-4-oxo-1H-1,7-naphthyridin-6-yl]cyclopropanecarboxamide has a molecular weight of 337.35 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-2-methylphenyl)-4-oxo-1H-1,7-naphthyridin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 67974895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).