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

C24H26ClN3O3 — CID 118275081

IUPAC2-chloro-N-[7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]pyridine-4-carboxamide
SMILESCCC(=O)CCCCCC(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)
InChIKeyDIUFILZNLMMYNF-UHFFFAOYSA-N
MW439.94 g/mol
LogP5.79
Rot. Bonds11

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

2-chloro-N-[7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]pyridine-4-carboxamide (PubChem CID 118275081) has the molecular formula C24H26ClN3O3 and a molecular weight of 439.94 g/mol. Its IUPAC name is 2-chloro-N-[7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]pyridine-4-carboxamide
PubChem CID118275081
Molecular FormulaC24H26ClN3O3
Molecular Weight439.94 g/mol
Exact Mass439.17
IUPAC Name2-chloro-N-[7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]pyridine-4-carboxamide
SMILESCCC(=O)CCCCCC(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)
InChIKeyDIUFILZNLMMYNF-UHFFFAOYSA-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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Related Compounds

N-[(1S)-7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]-1H-indole-6-carboxamide
CID 73058110
2-methyl-N-[7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]oxolane-2-carboxamide
CID 123615842
1-methyl-N-[(1S)-1-[5-[4-(2-methylpyrazol-3-yl)phenyl]-1,3-oxazol-2-yl]-7-oxononyl]azetidine-3-carboxamide
CID 90071003
3-(2-ethylbenzimidazol-1-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]propanamide
CID 73053736
dimethyl-[2-methyl-1-[[(1S)-1-(5-naphthalen-2-yl-1,3-oxazol-2-yl)-7-oxononyl]amino]-1-oxopropan-2-yl]azanium;2,2,2-trifluoroacetate
CID 87331646
2-(dimethylamino)-2-methyl-N-[(1S)-1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]propanamide
CID 73057534
N-[1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-1,3-thiazole-5-carboxamide
CID 118275139
2-chloro-N-heptan-2-ylpyridine-4-carboxamide
CID 60716706
2-[(2-chloropyridine-4-carbonyl)amino]butanoic acid
CID 45122335
4-[(2-chloropyridine-4-carbonyl)amino]pentanoic acid
CID 103932808
tert-butyl N-[4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-4-[[2-(hydroxymethyl)-5-phenylbenzoyl]amino]butyl]carbamate
CID 175431587
1-methyl-N-[(1R)-7-(methylamino)-1-[5-[4-(1-methylpyrazol-3-yl)phenyl]-1,3-oxazol-2-yl]-7-oxoheptyl]pyrazole-4-carboxamide
CID 118458668

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]pyridine-4-carboxamide (CID 118275081) is 2-chloro-N-[7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]pyridine-4-carboxamide is CCC(=O)CCCCCC(NC(=O)c1ccnc(Cl)c1)c1ncc(-c2ccccc2)o1.
What is the InChIKey of 2-chloro-N-[7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]pyridine-4-carboxamide?
The InChIKey is DIUFILZNLMMYNF-UHFFFAOYSA-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).
What are the key properties of 2-chloro-N-[7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]pyridine-4-carboxamide?
2-chloro-N-[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-[7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]pyridine-4-carboxamide is sourced from PubChem (CID 118275081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).