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

C22H16F2N6O — CID 56968932

IUPACN-[3-(1-amino-5-fluoro-3-methyl-4H-2,7-naphthyridin-3-yl)-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
SMILESCC1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)Cc2c(F)cncc2C(N)=N1
InChIInChI=1S/C22H16F2N6O/c1-22(7-14-15(20(26)30-22)10-27-11-18(14)24)16-6-13(3-4-17(16)23)29-21(31)19-5-2-12(8-25)9-28-19/h2-6,9-11H,7H2,1H3,(H2,26,30)(H,29,31)
InChIKeyCHSCSEXKGPIJCF-UHFFFAOYSA-N
MW418.41 g/mol
LogP3.06
Rot. Bonds3

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

N-[3-(1-amino-5-fluoro-3-methyl-4H-2,7-naphthyridin-3-yl)-4-fluorophenyl]-5-cyanopyridine-2-carboxamide (PubChem CID 56968932) has the molecular formula C22H16F2N6O and a molecular weight of 418.41 g/mol. Its IUPAC name is N-[3-(1-amino-5-fluoro-3-methyl-4H-2,7-naphthyridin-3-yl)-4-fluorophenyl]-5-cyanopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1-amino-5-fluoro-3-methyl-4H-2,7-naphthyridin-3-yl)-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
PubChem CID56968932
Molecular FormulaC22H16F2N6O
Molecular Weight418.41 g/mol
Exact Mass418.14
IUPAC NameN-[3-(1-amino-5-fluoro-3-methyl-4H-2,7-naphthyridin-3-yl)-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
SMILESCC1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)Cc2c(F)cncc2C(N)=N1
InChIInChI=1S/C22H16F2N6O/c1-22(7-14-15(20(26)30-22)10-27-11-18(14)24)16-6-13(3-4-17(16)23)29-21(31)19-5-2-12(8-25)9-28-19/h2-6,9-11H,7H2,1H3,(H2,26,30)(H,29,31)
InChIKeyCHSCSEXKGPIJCF-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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Related Compounds

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CID 53241828
N-{3-[(4r,5r)-2-Amino-5-Fluoro-4-Methyl-5,6-Dihydro-4h-1,3-Oxazin-4-Yl]-4-Fluorophenyl}-5-Cyanopyridine-2-Carboxamide
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Oxazine 89
CID 71305058
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N-{3-[(4s,5r)-2-Amino-5-Fluoro-4-(Fluoromethyl)-5,6-Dihydro-4h-1,3-Oxazin-4-Yl]-4-Fluorophenyl}-5-Cyanopyridine-2-Carboxamide
CID 66559017
N-{3-[(4s)-2-Amino-4-(Difluoromethyl)-5,6-Dihydro-4h-1,3-Oxazin-4-Yl]-4-Fluorophenyl}-5-Cyanopyridine-2-Carboxamide
CID 71112763
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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-amino-5-fluoro-3-methyl-4H-2,7-naphthyridin-3-yl)-4-fluorophenyl]-5-cyanopyridine-2-carboxamide?
The IUPAC name of N-[3-(1-amino-5-fluoro-3-methyl-4H-2,7-naphthyridin-3-yl)-4-fluorophenyl]-5-cyanopyridine-2-carboxamide (CID 56968932) is N-[3-(1-amino-5-fluoro-3-methyl-4H-2,7-naphthyridin-3-yl)-4-fluorophenyl]-5-cyanopyridine-2-carboxamide.
What is the SMILES notation for N-[3-(1-amino-5-fluoro-3-methyl-4H-2,7-naphthyridin-3-yl)-4-fluorophenyl]-5-cyanopyridine-2-carboxamide?
The canonical SMILES for N-[3-(1-amino-5-fluoro-3-methyl-4H-2,7-naphthyridin-3-yl)-4-fluorophenyl]-5-cyanopyridine-2-carboxamide is CC1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)Cc2c(F)cncc2C(N)=N1.
What is the InChIKey of N-[3-(1-amino-5-fluoro-3-methyl-4H-2,7-naphthyridin-3-yl)-4-fluorophenyl]-5-cyanopyridine-2-carboxamide?
The InChIKey is CHSCSEXKGPIJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N6O/c1-22(7-14-15(20(26)30-22)10-27-11-18(14)24)16-6-13(3-4-17(16)23)29-21(31)19-5-2-12(8-25)9-28-19/h2-6,9-11H,7H2,1H3,(H2,26,30)(H,29,31).
What are the key properties of N-[3-(1-amino-5-fluoro-3-methyl-4H-2,7-naphthyridin-3-yl)-4-fluorophenyl]-5-cyanopyridine-2-carboxamide?
N-[3-(1-amino-5-fluoro-3-methyl-4H-2,7-naphthyridin-3-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-(1-amino-5-fluoro-3-methyl-4H-2,7-naphthyridin-3-yl)-4-fluorophenyl]-5-cyanopyridine-2-carboxamide is sourced from PubChem (CID 56968932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).