N-[3-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide

C19H13N3O2 — CID 776012

IUPACN-[3-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1cccnc1
InChIInChI=1S/C19H13N3O2/c23-18(14-6-4-10-20-12-14)21-15-7-3-5-13(11-15)19-22-16-8-1-2-9-17(16)24-19/h1-12H,(H,21,23)
InChIKeyNBDWNSTVBGPAOH-UHFFFAOYSA-N
MW315.33 g/mol
LogP4.14
Rot. Bonds3

About N-[3-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide

N-[3-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide (PubChem CID 776012) has the molecular formula C19H13N3O2 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[3-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
PubChem CID776012
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC NameN-[3-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1cccnc1
InChIInChI=1S/C19H13N3O2/c23-18(14-6-4-10-20-12-14)21-15-7-3-5-13(11-15)19-22-16-8-1-2-9-17(16)24-19/h1-12H,(H,21,23)
InChIKeyNBDWNSTVBGPAOH-UHFFFAOYSA-N
XLogP4.14
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide (CID 776012) is N-[3-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1cccnc1.
What is the InChIKey of N-[3-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is NBDWNSTVBGPAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2/c23-18(14-6-4-10-20-12-14)21-15-7-3-5-13(11-15)19-22-16-8-1-2-9-17(16)24-19/h1-12H,(H,21,23).
What are the key properties of N-[3-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide?
N-[3-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 776012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).