N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide

C21H18ClFN4O3 — CID 118135825

IUPACN-[(4-chlorophenyl)methyl]-1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cc2cccnc2n(CC(=O)N2CC(F)C2)c1=O
InChIInChI=1S/C21H18ClFN4O3/c22-15-5-3-13(4-6-15)9-25-20(29)17-8-14-2-1-7-24-19(14)27(21(17)30)12-18(28)26-10-16(23)11-26/h1-8,16H,9-12H2,(H,25,29)
InChIKeyMNCOFPLKKQEYLU-UHFFFAOYSA-N
MW428.85 g/mol
LogP2.16
Rot. Bonds5

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

N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 118135825) has the molecular formula C21H18ClFN4O3 and a molecular weight of 428.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID118135825
Molecular FormulaC21H18ClFN4O3
Molecular Weight428.85 g/mol
Exact Mass428.11
IUPAC NameN-[(4-chlorophenyl)methyl]-1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cc2cccnc2n(CC(=O)N2CC(F)C2)c1=O
InChIInChI=1S/C21H18ClFN4O3/c22-15-5-3-13(4-6-15)9-25-20(29)17-8-14-2-1-7-24-19(14)27(21(17)30)12-18(28)26-10-16(23)11-26/h1-8,16H,9-12H2,(H,25,29)
InChIKeyMNCOFPLKKQEYLU-UHFFFAOYSA-N
XLogP2.16
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.85
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 118135825) is N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide is O=C(NCc1ccc(Cl)cc1)c1cc2cccnc2n(CC(=O)N2CC(F)C2)c1=O.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is MNCOFPLKKQEYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN4O3/c22-15-5-3-13(4-6-15)9-25-20(29)17-8-14-2-1-7-24-19(14)27(21(17)30)12-18(28)26-10-16(23)11-26/h1-8,16H,9-12H2,(H,25,29).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 428.85 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 118135825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).