2-chloro-N-[(1S)-7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]pyridine-4-carboxamide

C24H26ClN3O3 — CID 73057829

IUPAC2-chloro-N-[(1S)-7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]pyridine-4-carboxamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)c1ccnc(Cl)c1)c1ncc(-c2ccccc2)o1
InChIInChI=1S/C24H26ClN3O3/c1-2-19(29)11-7-4-8-12-20(28-23(30)18-13-14-26-22(25)15-18)24-27-16-21(31-24)17-9-5-3-6-10-17/h3,5-6,9-10,13-16,20H,2,4,7-8,11-12H2,1H3,(H,28,30)/t20-/m0/s1
InChIKeyDIUFILZNLMMYNF-FQEVSTJZSA-N
MW439.94 g/mol
LogP5.79
Rot. Bonds11

About 2-chloro-N-[(1S)-7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]pyridine-4-carboxamide

2-chloro-N-[(1S)-7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]pyridine-4-carboxamide (PubChem CID 73057829) has the molecular formula C24H26ClN3O3 and a molecular weight of 439.94 g/mol. Its IUPAC name is 2-chloro-N-[(1S)-7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(1S)-7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]pyridine-4-carboxamide
PubChem CID73057829
Molecular FormulaC24H26ClN3O3
Molecular Weight439.94 g/mol
Exact Mass439.17
IUPAC Name2-chloro-N-[(1S)-7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]pyridine-4-carboxamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)c1ccnc(Cl)c1)c1ncc(-c2ccccc2)o1
InChIInChI=1S/C24H26ClN3O3/c1-2-19(29)11-7-4-8-12-20(28-23(30)18-13-14-26-22(25)15-18)24-27-16-21(31-24)17-9-5-3-6-10-17/h3,5-6,9-10,13-16,20H,2,4,7-8,11-12H2,1H3,(H,28,30)/t20-/m0/s1
InChIKeyDIUFILZNLMMYNF-FQEVSTJZSA-N
XLogP5.79
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.94
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1S)-7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[(1S)-7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]pyridine-4-carboxamide (CID 73057829) is 2-chloro-N-[(1S)-7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[(1S)-7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[(1S)-7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]pyridine-4-carboxamide is CCC(=O)CCCCC[C@H](NC(=O)c1ccnc(Cl)c1)c1ncc(-c2ccccc2)o1.
What is the InChIKey of 2-chloro-N-[(1S)-7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]pyridine-4-carboxamide?
The InChIKey is DIUFILZNLMMYNF-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H26ClN3O3/c1-2-19(29)11-7-4-8-12-20(28-23(30)18-13-14-26-22(25)15-18)24-27-16-21(31-24)17-9-5-3-6-10-17/h3,5-6,9-10,13-16,20H,2,4,7-8,11-12H2,1H3,(H,28,30)/t20-/m0/s1.
What are the key properties of 2-chloro-N-[(1S)-7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]pyridine-4-carboxamide?
2-chloro-N-[(1S)-7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]pyridine-4-carboxamide has a molecular weight of 439.94 g/mol, XLogP of 5.79, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1S)-7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]pyridine-4-carboxamide is sourced from PubChem (CID 73057829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).