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

C20H15FN4O — CID 67974943

IUPACN-[5-cyano-7-(5-fluoro-2-methylphenyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(C#N)n1
InChIInChI=1S/C20H15FN4O/c1-11-2-5-14(21)7-15(11)17-6-13-10-23-19(25-20(26)12-3-4-12)8-16(13)18(9-22)24-17/h2,5-8,10,12H,3-4H2,1H3,(H,23,25,26)
InChIKeyTVZQGPYJSOUHOP-UHFFFAOYSA-N
MW346.37 g/mol
LogP3.96
Rot. Bonds3

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

N-[5-cyano-7-(5-fluoro-2-methylphenyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 67974943) has the molecular formula C20H15FN4O and a molecular weight of 346.37 g/mol. Its IUPAC name is N-[5-cyano-7-(5-fluoro-2-methylphenyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-cyano-7-(5-fluoro-2-methylphenyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
PubChem CID67974943
Molecular FormulaC20H15FN4O
Molecular Weight346.37 g/mol
Exact Mass346.12
IUPAC NameN-[5-cyano-7-(5-fluoro-2-methylphenyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(C#N)n1
InChIInChI=1S/C20H15FN4O/c1-11-2-5-14(21)7-15(11)17-6-13-10-23-19(25-20(26)12-3-4-12)8-16(13)18(9-22)24-17/h2,5-8,10,12H,3-4H2,1H3,(H,23,25,26)
InChIKeyTVZQGPYJSOUHOP-UHFFFAOYSA-N
XLogP3.96
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-7-(5-fluoro-2-methylphenyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-cyano-7-(5-fluoro-2-methylphenyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide (CID 67974943) is N-[5-cyano-7-(5-fluoro-2-methylphenyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-cyano-7-(5-fluoro-2-methylphenyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-cyano-7-(5-fluoro-2-methylphenyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide is Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(C#N)n1.
What is the InChIKey of N-[5-cyano-7-(5-fluoro-2-methylphenyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is TVZQGPYJSOUHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O/c1-11-2-5-14(21)7-15(11)17-6-13-10-23-19(25-20(26)12-3-4-12)8-16(13)18(9-22)24-17/h2,5-8,10,12H,3-4H2,1H3,(H,23,25,26).
What are the key properties of N-[5-cyano-7-(5-fluoro-2-methylphenyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
N-[5-cyano-7-(5-fluoro-2-methylphenyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 346.37 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-7-(5-fluoro-2-methylphenyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 67974943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).