N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-(2-methyl-1,3-oxazol-5-yl)-2-oxo-1,8-naphthyridine-3-carboxamide

C26H23ClFN5O4 — CID 118135913

IUPACN-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-(2-methyl-1,3-oxazol-5-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCc1ncc(-c2cnc3c(c2)cc(C(=O)NCc2ccc(Cl)cc2)c(=O)n3CC(=O)N2CC(C)(F)C2)o1
InChIInChI=1S/C26H23ClFN5O4/c1-15-29-11-21(37-15)18-7-17-8-20(24(35)31-9-16-3-5-19(27)6-4-16)25(36)33(23(17)30-10-18)12-22(34)32-13-26(2,28)14-32/h3-8,10-11H,9,12-14H2,1-2H3,(H,31,35)
InChIKeyYIJJCCBUZNSISM-UHFFFAOYSA-N
MW523.95 g/mol
LogP3.51
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-(2-methyl-1,3-oxazol-5-yl)-2-oxo-1,8-naphthyridine-3-carboxamide

N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-(2-methyl-1,3-oxazol-5-yl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 118135913) has the molecular formula C26H23ClFN5O4 and a molecular weight of 523.95 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-(2-methyl-1,3-oxazol-5-yl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-(2-methyl-1,3-oxazol-5-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID118135913
Molecular FormulaC26H23ClFN5O4
Molecular Weight523.95 g/mol
Exact Mass523.14
IUPAC NameN-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-(2-methyl-1,3-oxazol-5-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCc1ncc(-c2cnc3c(c2)cc(C(=O)NCc2ccc(Cl)cc2)c(=O)n3CC(=O)N2CC(C)(F)C2)o1
InChIInChI=1S/C26H23ClFN5O4/c1-15-29-11-21(37-15)18-7-17-8-20(24(35)31-9-16-3-5-19(27)6-4-16)25(36)33(23(17)30-10-18)12-22(34)32-13-26(2,28)14-32/h3-8,10-11H,9,12-14H2,1-2H3,(H,31,35)
InChIKeyYIJJCCBUZNSISM-UHFFFAOYSA-N
XLogP3.51
TPSA110.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.95
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-(2-methyl-1,3-oxazol-5-yl)-2-oxo-1,8-naphthyridine-3-carboxamide with MolForge

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Related Compounds

4-[3-chloro-5-(5-methyl-1,3-oxazol-2-yl)pyridin-2-yl]-N-(phenylsulfonyl)piperazine-1-carboxamide
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3-chloro-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 71896844
1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]-N-[(4-fluorophenyl)-methylsulfamoyl]piperidine-4-carboxamide
CID 25204561
2-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]-1,3-oxazole
CID 59772588
5-[5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(2-fluoroethyl)piperazin-1-yl]-3-pyridinyl]-1,3-oxazole
CID 68262799
1-[3-Chloro-5-(5-methyl-1,3-oxazol-2-yl)pyridin-2-yl]piperazine bis(trifluoroacetate)
CID 86627434
1-[3-Chloro-5-(5-ethyl-1,3-oxazol-2-yl)pyridin-2-yl]piperazine bis(trifluoroacetate)
CID 86627435
N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethoxy]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 89861557
1-[2-[Ethyl(fluoromethyl)amino]-2-oxoethyl]-6-(2-methyl-1,3-oxazol-5-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 89861820
N-(6-chloro-3-ethenylhepta-3,5-dienyl)-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-(2-methyl-1,3-oxazol-5-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 123426861
2-[[4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole
CID 27207860
1-[4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one
CID 39717257

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-(2-methyl-1,3-oxazol-5-yl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-(2-methyl-1,3-oxazol-5-yl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 118135913) is N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-(2-methyl-1,3-oxazol-5-yl)-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-(2-methyl-1,3-oxazol-5-yl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-(2-methyl-1,3-oxazol-5-yl)-2-oxo-1,8-naphthyridine-3-carboxamide is Cc1ncc(-c2cnc3c(c2)cc(C(=O)NCc2ccc(Cl)cc2)c(=O)n3CC(=O)N2CC(C)(F)C2)o1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-(2-methyl-1,3-oxazol-5-yl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is YIJJCCBUZNSISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN5O4/c1-15-29-11-21(37-15)18-7-17-8-20(24(35)31-9-16-3-5-19(27)6-4-16)25(36)33(23(17)30-10-18)12-22(34)32-13-26(2,28)14-32/h3-8,10-11H,9,12-14H2,1-2H3,(H,31,35).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-(2-methyl-1,3-oxazol-5-yl)-2-oxo-1,8-naphthyridine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-(2-methyl-1,3-oxazol-5-yl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 523.95 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-(2-methyl-1,3-oxazol-5-yl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 118135913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).