N-(1,3-benzoxazol-6-yl)pyridine-3-carboxamide;hydrochloride

C13H10ClN3O2 — CID 110778910

IUPACN-(1,3-benzoxazol-6-yl)pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2ncoc2c1)c1cccnc1
InChIInChI=1S/C13H9N3O2.ClH/c17-13(9-2-1-5-14-7-9)16-10-3-4-11-12(6-10)18-8-15-11;/h1-8H,(H,16,17);1H
InChIKeyLXXIXSCXHQQGKS-UHFFFAOYSA-N
MW275.70 g/mol
LogP2.90
Rot. Bonds2

About N-(1,3-benzoxazol-6-yl)pyridine-3-carboxamide;hydrochloride

N-(1,3-benzoxazol-6-yl)pyridine-3-carboxamide;hydrochloride (PubChem CID 110778910) has the molecular formula C13H10ClN3O2 and a molecular weight of 275.70 g/mol. Its IUPAC name is N-(1,3-benzoxazol-6-yl)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1,3-benzoxazol-6-yl)pyridine-3-carboxamide;hydrochloride
PubChem CID110778910
Molecular FormulaC13H10ClN3O2
Molecular Weight275.70 g/mol
Exact Mass275.05
IUPAC NameN-(1,3-benzoxazol-6-yl)pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2ncoc2c1)c1cccnc1
InChIInChI=1S/C13H9N3O2.ClH/c17-13(9-2-1-5-14-7-9)16-10-3-4-11-12(6-10)18-8-15-11;/h1-8H,(H,16,17);1H
InChIKeyLXXIXSCXHQQGKS-UHFFFAOYSA-N
XLogP2.90
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzoxazol-6-yl)pyrazine-2-carboxamide
CID 110744615
N-(1,3-benzoxazol-6-yl)-4-(methylamino)benzamide
CID 115161080
N-(1,3-benzoxazol-5-yl)pyridine-4-carboxamide
CID 110728684
N-(1,3-benzoxazol-6-yl)-2-(hydroxymethyl)pyridine-4-carboxamide
CID 115116039
N-(1,3-benzoxazol-6-yl)acetamide
CID 54228397
1,3-benzoxazol-6-ylcarbamic acid
CID 115170663
N-(1,3-benzoxazol-6-yl)thiophene-2-carboxamide
CID 110728841
N-(1-methylbenzimidazol-5-yl)pyridine-3-carboxamide;hydrochloride
CID 110779100
N-(4-chlorophenyl)-1,3-benzoxazole-6-carboxamide
CID 110765115
N-(4-fluorophenyl)pyridine-3-carboxamide;hydrochloride
CID 110756411
N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-3-carboxamide
CID 571626
N-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide
CID 110765121

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-6-yl)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-(1,3-benzoxazol-6-yl)pyridine-3-carboxamide;hydrochloride (CID 110778910) is N-(1,3-benzoxazol-6-yl)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1,3-benzoxazol-6-yl)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1,3-benzoxazol-6-yl)pyridine-3-carboxamide;hydrochloride is Cl.O=C(Nc1ccc2ncoc2c1)c1cccnc1.
What is the InChIKey of N-(1,3-benzoxazol-6-yl)pyridine-3-carboxamide;hydrochloride?
The InChIKey is LXXIXSCXHQQGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2.ClH/c17-13(9-2-1-5-14-7-9)16-10-3-4-11-12(6-10)18-8-15-11;/h1-8H,(H,16,17);1H.
What are the key properties of N-(1,3-benzoxazol-6-yl)pyridine-3-carboxamide;hydrochloride?
N-(1,3-benzoxazol-6-yl)pyridine-3-carboxamide;hydrochloride has a molecular weight of 275.70 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-6-yl)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 110778910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).