N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-2-carboxamide

C20H15N3O2 — CID 6458011

IUPACN-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-2-carboxamide
SMILESCc1ccc2oc(-c3cccc(NC(=O)c4ccccn4)c3)nc2c1
InChIInChI=1S/C20H15N3O2/c1-13-8-9-18-17(11-13)23-20(25-18)14-5-4-6-15(12-14)22-19(24)16-7-2-3-10-21-16/h2-12H,1H3,(H,22,24)
InChIKeyBBNKGUMIPOTAQC-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.45
Rot. Bonds3

About N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-2-carboxamide

N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-2-carboxamide (PubChem CID 6458011) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-2-carboxamide
PubChem CID6458011
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC NameN-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-2-carboxamide
SMILESCc1ccc2oc(-c3cccc(NC(=O)c4ccccn4)c3)nc2c1
InChIInChI=1S/C20H15N3O2/c1-13-8-9-18-17(11-13)23-20(25-18)14-5-4-6-15(12-14)22-19(24)16-7-2-3-10-21-16/h2-12H,1H3,(H,22,24)
InChIKeyBBNKGUMIPOTAQC-UHFFFAOYSA-N
XLogP4.45
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-2-carboxamide (CID 6458011) is N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-2-carboxamide is Cc1ccc2oc(-c3cccc(NC(=O)c4ccccn4)c3)nc2c1.
What is the InChIKey of N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is BBNKGUMIPOTAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-13-8-9-18-17(11-13)23-20(25-18)14-5-4-6-15(12-14)22-19(24)16-7-2-3-10-21-16/h2-12H,1H3,(H,22,24).
What are the key properties of N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-2-carboxamide?
N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 6458011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).