N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-2-oxo-8-[(1-sulfamoylcyclopropyl)methoxy]-1,5-naphthyridine-3-carboxamide

C22H20FN5O5S — CID 169146954

IUPACN-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-2-oxo-8-[(1-sulfamoylcyclopropyl)methoxy]-1,5-naphthyridine-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCc2ccc(C#N)c(F)c2)cc2nccc(OCC3(S(N)(=O)=O)CC3)c21
InChIInChI=1S/C22H20FN5O5S/c1-28-19-17(26-7-4-18(19)33-12-22(5-6-22)34(25,31)32)9-15(21(28)30)20(29)27-11-13-2-3-14(10-24)16(23)8-13/h2-4,7-9H,5-6,11-12H2,1H3,(H,27,29)(H2,25,31,32)
InChIKeyUBTOXYSOJLFPFU-UHFFFAOYSA-N
MW485.50 g/mol
LogP1.07
Rot. Bonds7

About N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-2-oxo-8-[(1-sulfamoylcyclopropyl)methoxy]-1,5-naphthyridine-3-carboxamide

N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-2-oxo-8-[(1-sulfamoylcyclopropyl)methoxy]-1,5-naphthyridine-3-carboxamide (PubChem CID 169146954) has the molecular formula C22H20FN5O5S and a molecular weight of 485.50 g/mol. Its IUPAC name is N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-2-oxo-8-[(1-sulfamoylcyclopropyl)methoxy]-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-2-oxo-8-[(1-sulfamoylcyclopropyl)methoxy]-1,5-naphthyridine-3-carboxamide
PubChem CID169146954
Molecular FormulaC22H20FN5O5S
Molecular Weight485.50 g/mol
Exact Mass485.12
IUPAC NameN-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-2-oxo-8-[(1-sulfamoylcyclopropyl)methoxy]-1,5-naphthyridine-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCc2ccc(C#N)c(F)c2)cc2nccc(OCC3(S(N)(=O)=O)CC3)c21
InChIInChI=1S/C22H20FN5O5S/c1-28-19-17(26-7-4-18(19)33-12-22(5-6-22)34(25,31)32)9-15(21(28)30)20(29)27-11-13-2-3-14(10-24)16(23)8-13/h2-4,7-9H,5-6,11-12H2,1H3,(H,27,29)(H2,25,31,32)
InChIKeyUBTOXYSOJLFPFU-UHFFFAOYSA-N
XLogP1.07
TPSA157.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.50
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-2-oxo-8-[(1-sulfamoylcyclopropyl)methoxy]-1,5-naphthyridine-3-carboxamide?
The IUPAC name of N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-2-oxo-8-[(1-sulfamoylcyclopropyl)methoxy]-1,5-naphthyridine-3-carboxamide (CID 169146954) is N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-2-oxo-8-[(1-sulfamoylcyclopropyl)methoxy]-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-2-oxo-8-[(1-sulfamoylcyclopropyl)methoxy]-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-2-oxo-8-[(1-sulfamoylcyclopropyl)methoxy]-1,5-naphthyridine-3-carboxamide is Cn1c(=O)c(C(=O)NCc2ccc(C#N)c(F)c2)cc2nccc(OCC3(S(N)(=O)=O)CC3)c21.
What is the InChIKey of N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-2-oxo-8-[(1-sulfamoylcyclopropyl)methoxy]-1,5-naphthyridine-3-carboxamide?
The InChIKey is UBTOXYSOJLFPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O5S/c1-28-19-17(26-7-4-18(19)33-12-22(5-6-22)34(25,31)32)9-15(21(28)30)20(29)27-11-13-2-3-14(10-24)16(23)8-13/h2-4,7-9H,5-6,11-12H2,1H3,(H,27,29)(H2,25,31,32).
What are the key properties of N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-2-oxo-8-[(1-sulfamoylcyclopropyl)methoxy]-1,5-naphthyridine-3-carboxamide?
N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-2-oxo-8-[(1-sulfamoylcyclopropyl)methoxy]-1,5-naphthyridine-3-carboxamide has a molecular weight of 485.50 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-2-oxo-8-[(1-sulfamoylcyclopropyl)methoxy]-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 169146954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).