N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide

C18H12N4O2 — CID 646942

IUPACN-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1cccnc1
InChIInChI=1S/C18H12N4O2/c23-17(12-3-1-7-19-10-12)21-14-5-6-16-15(9-14)22-18(24-16)13-4-2-8-20-11-13/h1-11H,(H,21,23)
InChIKeyFXCXWQTZSDJVHN-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.54
Rot. Bonds3

About N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide

N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide (PubChem CID 646942) has the molecular formula C18H12N4O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
PubChem CID646942
Molecular FormulaC18H12N4O2
Molecular Weight316.32 g/mol
Exact Mass316.10
IUPAC NameN-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1cccnc1
InChIInChI=1S/C18H12N4O2/c23-17(12-3-1-7-19-10-12)21-14-5-6-16-15(9-14)22-18(24-16)13-4-2-8-20-11-13/h1-11H,(H,21,23)
InChIKeyFXCXWQTZSDJVHN-UHFFFAOYSA-N
XLogP3.54
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide (CID 646942) is N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide is O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1cccnc1.
What is the InChIKey of N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide?
The InChIKey is FXCXWQTZSDJVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O2/c23-17(12-3-1-7-19-10-12)21-14-5-6-16-15(9-14)22-18(24-16)13-4-2-8-20-11-13/h1-11H,(H,21,23).
What are the key properties of N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide?
N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 646942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).