N-(2-ethyl-1,3-benzoxazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide

C15H13N3O3 — CID 60933557

IUPACN-(2-ethyl-1,3-benzoxazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCCc1nc2cc(NC(=O)c3ccc(=O)[nH]c3)ccc2o1
InChIInChI=1S/C15H13N3O3/c1-2-14-18-11-7-10(4-5-12(11)21-14)17-15(20)9-3-6-13(19)16-8-9/h3-8H,2H2,1H3,(H,16,19)(H,17,20)
InChIKeyVWPQITFGDZTTOG-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.33
Rot. Bonds3

About N-(2-ethyl-1,3-benzoxazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide

N-(2-ethyl-1,3-benzoxazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 60933557) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-(2-ethyl-1,3-benzoxazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-1,3-benzoxazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID60933557
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC NameN-(2-ethyl-1,3-benzoxazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCCc1nc2cc(NC(=O)c3ccc(=O)[nH]c3)ccc2o1
InChIInChI=1S/C15H13N3O3/c1-2-14-18-11-7-10(4-5-12(11)21-14)17-15(20)9-3-6-13(19)16-8-9/h3-8H,2H2,1H3,(H,16,19)(H,17,20)
InChIKeyVWPQITFGDZTTOG-UHFFFAOYSA-N
XLogP2.33
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide;hydrochloride
CID 75526044
4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide
CID 60945682
5-chloro-N-(2-ethyl-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide
CID 103803702
(2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride
CID 119290751
4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-1H-pyrazole-5-carboxamide
CID 63102295
3-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-2-methoxypropanamide
CID 106111892
1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide;hydrochloride
CID 119725949
2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)butanediamide;hydrochloride
CID 119956615
N-(2-ethyl-1,3-benzoxazol-5-yl)-5-nitrofuran-2-carboxamide
CID 60556890
N-(2-ethyl-1,3-benzoxazol-5-yl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
CID 55957721
6-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-6-oxohexanoic acid
CID 60933247
1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119290757

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-1,3-benzoxazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-ethyl-1,3-benzoxazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide (CID 60933557) is N-(2-ethyl-1,3-benzoxazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-ethyl-1,3-benzoxazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-ethyl-1,3-benzoxazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide is CCc1nc2cc(NC(=O)c3ccc(=O)[nH]c3)ccc2o1.
What is the InChIKey of N-(2-ethyl-1,3-benzoxazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is VWPQITFGDZTTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-2-14-18-11-7-10(4-5-12(11)21-14)17-15(20)9-3-6-13(19)16-8-9/h3-8H,2H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N-(2-ethyl-1,3-benzoxazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide?
N-(2-ethyl-1,3-benzoxazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-1,3-benzoxazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 60933557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).