N-[3-(5-amino-3-fluoro-7-methyl-8H-1,6-naphthyridin-7-yl)-4-fluorophenyl]-5-cyanopyridine-2-carboxamide

C22H16F2N6O — CID 56956281

IUPACN-[3-(5-amino-3-fluoro-7-methyl-8H-1,6-naphthyridin-7-yl)-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
SMILESCC1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)Cc2ncc(F)cc2C(N)=N1
InChIInChI=1S/C22H16F2N6O/c1-22(8-19-15(20(26)30-22)6-13(23)11-28-19)16-7-14(3-4-17(16)24)29-21(31)18-5-2-12(9-25)10-27-18/h2-7,10-11H,8H2,1H3,(H2,26,30)(H,29,31)
InChIKeyCJWAUAHXWLTOSM-UHFFFAOYSA-N
MW418.41 g/mol
LogP3.06
Rot. Bonds3

About N-[3-(5-amino-3-fluoro-7-methyl-8H-1,6-naphthyridin-7-yl)-4-fluorophenyl]-5-cyanopyridine-2-carboxamide

N-[3-(5-amino-3-fluoro-7-methyl-8H-1,6-naphthyridin-7-yl)-4-fluorophenyl]-5-cyanopyridine-2-carboxamide (PubChem CID 56956281) has the molecular formula C22H16F2N6O and a molecular weight of 418.41 g/mol. Its IUPAC name is N-[3-(5-amino-3-fluoro-7-methyl-8H-1,6-naphthyridin-7-yl)-4-fluorophenyl]-5-cyanopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(5-amino-3-fluoro-7-methyl-8H-1,6-naphthyridin-7-yl)-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
PubChem CID56956281
Molecular FormulaC22H16F2N6O
Molecular Weight418.41 g/mol
Exact Mass418.14
IUPAC NameN-[3-(5-amino-3-fluoro-7-methyl-8H-1,6-naphthyridin-7-yl)-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
SMILESCC1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)Cc2ncc(F)cc2C(N)=N1
InChIInChI=1S/C22H16F2N6O/c1-22(8-19-15(20(26)30-22)6-13(23)11-28-19)16-7-14(3-4-17(16)24)29-21(31)18-5-2-12(9-25)10-27-18/h2-7,10-11H,8H2,1H3,(H2,26,30)(H,29,31)
InChIKeyCJWAUAHXWLTOSM-UHFFFAOYSA-N
XLogP3.06
TPSA117.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-amino-3-fluoro-7-methyl-8H-1,6-naphthyridin-7-yl)-4-fluorophenyl]-5-cyanopyridine-2-carboxamide?
The IUPAC name of N-[3-(5-amino-3-fluoro-7-methyl-8H-1,6-naphthyridin-7-yl)-4-fluorophenyl]-5-cyanopyridine-2-carboxamide (CID 56956281) is N-[3-(5-amino-3-fluoro-7-methyl-8H-1,6-naphthyridin-7-yl)-4-fluorophenyl]-5-cyanopyridine-2-carboxamide.
What is the SMILES notation for N-[3-(5-amino-3-fluoro-7-methyl-8H-1,6-naphthyridin-7-yl)-4-fluorophenyl]-5-cyanopyridine-2-carboxamide?
The canonical SMILES for N-[3-(5-amino-3-fluoro-7-methyl-8H-1,6-naphthyridin-7-yl)-4-fluorophenyl]-5-cyanopyridine-2-carboxamide is CC1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)Cc2ncc(F)cc2C(N)=N1.
What is the InChIKey of N-[3-(5-amino-3-fluoro-7-methyl-8H-1,6-naphthyridin-7-yl)-4-fluorophenyl]-5-cyanopyridine-2-carboxamide?
The InChIKey is CJWAUAHXWLTOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N6O/c1-22(8-19-15(20(26)30-22)6-13(23)11-28-19)16-7-14(3-4-17(16)24)29-21(31)18-5-2-12(9-25)10-27-18/h2-7,10-11H,8H2,1H3,(H2,26,30)(H,29,31).
What are the key properties of N-[3-(5-amino-3-fluoro-7-methyl-8H-1,6-naphthyridin-7-yl)-4-fluorophenyl]-5-cyanopyridine-2-carboxamide?
N-[3-(5-amino-3-fluoro-7-methyl-8H-1,6-naphthyridin-7-yl)-4-fluorophenyl]-5-cyanopyridine-2-carboxamide has a molecular weight of 418.41 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-amino-3-fluoro-7-methyl-8H-1,6-naphthyridin-7-yl)-4-fluorophenyl]-5-cyanopyridine-2-carboxamide is sourced from PubChem (CID 56956281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).