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

C28H29ClFN5O4 — CID 123426861

IUPACN-(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
SMILESC=CC(=CC=C(C)Cl)CCNC(=O)c1cc2cc(-c3cnc(C)o3)cnc2n(CC(=O)N2CC(C)(F)C2)c1=O
InChIInChI=1S/C28H29ClFN5O4/c1-5-19(7-6-17(2)29)8-9-31-26(37)22-11-20-10-21(23-13-32-18(3)39-23)12-33-25(20)35(27(22)38)14-24(36)34-15-28(4,30)16-34/h5-7,10-13H,1,8-9,14-16H2,2-4H3,(H,31,37)
InChIKeyFEYNONDNYZNNFD-UHFFFAOYSA-N
MW554.02 g/mol
LogP4.31
Rot. Bonds9

About 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

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 (PubChem CID 123426861) has the molecular formula C28H29ClFN5O4 and a molecular weight of 554.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID123426861
Molecular FormulaC28H29ClFN5O4
Molecular Weight554.02 g/mol
Exact Mass553.19
IUPAC NameN-(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
SMILESC=CC(=CC=C(C)Cl)CCNC(=O)c1cc2cc(-c3cnc(C)o3)cnc2n(CC(=O)N2CC(C)(F)C2)c1=O
InChIInChI=1S/C28H29ClFN5O4/c1-5-19(7-6-17(2)29)8-9-31-26(37)22-11-20-10-21(23-13-32-18(3)39-23)12-33-25(20)35(27(22)38)14-24(36)34-15-28(4,30)16-34/h5-7,10-13H,1,8-9,14-16H2,2-4H3,(H,31,37)
InChIKeyFEYNONDNYZNNFD-UHFFFAOYSA-N
XLogP4.31
TPSA110.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.02
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CC(=CC=C(C)Cl)CCNC(=O)c1cc2cc(-c3cnc(C)o3)cnc2n(CC(=O)N2CC(C)(F)C2)c1=O.
What is the InChIKey of 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?
The InChIKey is FEYNONDNYZNNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClFN5O4/c1-5-19(7-6-17(2)29)8-9-31-26(37)22-11-20-10-21(23-13-32-18(3)39-23)12-33-25(20)35(27(22)38)14-24(36)34-15-28(4,30)16-34/h5-7,10-13H,1,8-9,14-16H2,2-4H3,(H,31,37).
What are the key properties of 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?
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 has a molecular weight of 554.02 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123426861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).