N-[(4-chlorophenyl)methyl]-6-(2-fluoro-4-pyridinyl)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide

C27H23ClFN5O3 — CID 118135919

IUPACN-[(4-chlorophenyl)methyl]-6-(2-fluoro-4-pyridinyl)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC1CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3cc(-c4ccnc(F)c4)cnc32)C1
InChIInChI=1S/C27H23ClFN5O3/c1-16-13-33(14-16)24(35)15-34-25-19(8-20(12-31-25)18-6-7-30-23(29)10-18)9-22(27(34)37)26(36)32-11-17-2-4-21(28)5-3-17/h2-10,12,16H,11,13-15H2,1H3,(H,32,36)
InChIKeyICADISZYOYPSGL-UHFFFAOYSA-N
MW519.96 g/mol
LogP3.66
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-6-(2-fluoro-4-pyridinyl)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide

N-[(4-chlorophenyl)methyl]-6-(2-fluoro-4-pyridinyl)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 118135919) has the molecular formula C27H23ClFN5O3 and a molecular weight of 519.96 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-6-(2-fluoro-4-pyridinyl)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-6-(2-fluoro-4-pyridinyl)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID118135919
Molecular FormulaC27H23ClFN5O3
Molecular Weight519.96 g/mol
Exact Mass519.15
IUPAC NameN-[(4-chlorophenyl)methyl]-6-(2-fluoro-4-pyridinyl)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC1CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3cc(-c4ccnc(F)c4)cnc32)C1
InChIInChI=1S/C27H23ClFN5O3/c1-16-13-33(14-16)24(35)15-34-25-19(8-20(12-31-25)18-6-7-30-23(29)10-18)9-22(27(34)37)26(36)32-11-17-2-4-21(28)5-3-17/h2-10,12,16H,11,13-15H2,1H3,(H,32,36)
InChIKeyICADISZYOYPSGL-UHFFFAOYSA-N
XLogP3.66
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.96
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-6-(2-fluoro-4-pyridinyl)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-6-(2-fluoro-4-pyridinyl)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 118135919) is N-[(4-chlorophenyl)methyl]-6-(2-fluoro-4-pyridinyl)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-6-(2-fluoro-4-pyridinyl)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-6-(2-fluoro-4-pyridinyl)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide is CC1CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3cc(-c4ccnc(F)c4)cnc32)C1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-6-(2-fluoro-4-pyridinyl)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is ICADISZYOYPSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClFN5O3/c1-16-13-33(14-16)24(35)15-34-25-19(8-20(12-31-25)18-6-7-30-23(29)10-18)9-22(27(34)37)26(36)32-11-17-2-4-21(28)5-3-17/h2-10,12,16H,11,13-15H2,1H3,(H,32,36).
What are the key properties of N-[(4-chlorophenyl)methyl]-6-(2-fluoro-4-pyridinyl)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-6-(2-fluoro-4-pyridinyl)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 519.96 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-6-(2-fluoro-4-pyridinyl)-1-[2-(3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 118135919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).