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

C24H19FN4O — CID 71115018

IUPACN-[7-(5-fluoro-2-methylphenyl)-5-pyridin-3-yl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(-c2cccnc2)n1
InChIInChI=1S/C24H19FN4O/c1-14-4-7-18(25)10-19(14)21-9-17-13-27-22(29-24(30)15-5-6-15)11-20(17)23(28-21)16-3-2-8-26-12-16/h2-4,7-13,15H,5-6H2,1H3,(H,27,29,30)
InChIKeyWQERZQJKJFJFJW-UHFFFAOYSA-N
MW398.44 g/mol
LogP5.15
Rot. Bonds4

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

N-[7-(5-fluoro-2-methylphenyl)-5-pyridin-3-yl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 71115018) has the molecular formula C24H19FN4O and a molecular weight of 398.44 g/mol. Its IUPAC name is N-[7-(5-fluoro-2-methylphenyl)-5-pyridin-3-yl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-(5-fluoro-2-methylphenyl)-5-pyridin-3-yl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
PubChem CID71115018
Molecular FormulaC24H19FN4O
Molecular Weight398.44 g/mol
Exact Mass398.15
IUPAC NameN-[7-(5-fluoro-2-methylphenyl)-5-pyridin-3-yl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(-c2cccnc2)n1
InChIInChI=1S/C24H19FN4O/c1-14-4-7-18(25)10-19(14)21-9-17-13-27-22(29-24(30)15-5-6-15)11-20(17)23(28-21)16-3-2-8-26-12-16/h2-4,7-13,15H,5-6H2,1H3,(H,27,29,30)
InChIKeyWQERZQJKJFJFJW-UHFFFAOYSA-N
XLogP5.15
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.44
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[7-(5-fluoro-2-methylphenyl)-5-pyridin-3-yl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-(5-fluoro-2-methylphenyl)-5-pyridin-3-yl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide (CID 71115018) is N-[7-(5-fluoro-2-methylphenyl)-5-pyridin-3-yl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-(5-fluoro-2-methylphenyl)-5-pyridin-3-yl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-(5-fluoro-2-methylphenyl)-5-pyridin-3-yl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide is Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(-c2cccnc2)n1.
What is the InChIKey of N-[7-(5-fluoro-2-methylphenyl)-5-pyridin-3-yl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is WQERZQJKJFJFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O/c1-14-4-7-18(25)10-19(14)21-9-17-13-27-22(29-24(30)15-5-6-15)11-20(17)23(28-21)16-3-2-8-26-12-16/h2-4,7-13,15H,5-6H2,1H3,(H,27,29,30).
What are the key properties of N-[7-(5-fluoro-2-methylphenyl)-5-pyridin-3-yl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
N-[7-(5-fluoro-2-methylphenyl)-5-pyridin-3-yl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 398.44 g/mol, XLogP of 5.15, 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-pyridin-3-yl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 71115018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).