N-[4-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-2-carboxamide

C20H13BrN4O2 — CID 979035

IUPACN-[4-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(-c2noc(-c3ccccc3Br)n2)cc1)c1ccccn1
InChIInChI=1S/C20H13BrN4O2/c21-16-6-2-1-5-15(16)20-24-18(25-27-20)13-8-10-14(11-9-13)23-19(26)17-7-3-4-12-22-17/h1-12H,(H,23,26)
InChIKeyQZFWPHZLMPEVEF-UHFFFAOYSA-N
MW421.25 g/mol
LogP4.81
Rot. Bonds4

About N-[4-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-2-carboxamide

N-[4-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-2-carboxamide (PubChem CID 979035) has the molecular formula C20H13BrN4O2 and a molecular weight of 421.25 g/mol. Its IUPAC name is N-[4-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-2-carboxamide
PubChem CID979035
Molecular FormulaC20H13BrN4O2
Molecular Weight421.25 g/mol
Exact Mass420.02
IUPAC NameN-[4-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(-c2noc(-c3ccccc3Br)n2)cc1)c1ccccn1
InChIInChI=1S/C20H13BrN4O2/c21-16-6-2-1-5-15(16)20-24-18(25-27-20)13-8-10-14(11-9-13)23-19(26)17-7-3-4-12-22-17/h1-12H,(H,23,26)
InChIKeyQZFWPHZLMPEVEF-UHFFFAOYSA-N
XLogP4.81
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.25
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea
CID 50778320
N-[4-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-2-carboxamide
CID 122176663
2-[4-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328496
5-(2-bromophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 750612
N-(4-pyridin-2-ylphenyl)pyridine-2-carboxamide
CID 110461625
5-(2-bromophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 752271
N-(4-acetylphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 46385460
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-cyanophenyl)benzamide
CID 46288596
4-(pyridine-2-carbonylamino)benzoic acid
CID 16770258
[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]carbamic acid
CID 21483705
2-methyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 50747772
N-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide
CID 17052798

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-2-carboxamide (CID 979035) is N-[4-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(-c2noc(-c3ccccc3Br)n2)cc1)c1ccccn1.
What is the InChIKey of N-[4-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-2-carboxamide?
The InChIKey is QZFWPHZLMPEVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrN4O2/c21-16-6-2-1-5-15(16)20-24-18(25-27-20)13-8-10-14(11-9-13)23-19(26)17-7-3-4-12-22-17/h1-12H,(H,23,26).
What are the key properties of N-[4-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-2-carboxamide?
N-[4-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-2-carboxamide has a molecular weight of 421.25 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 979035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).