N-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide

C16H11BrN4O2 — CID 53118448

IUPACN-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1nccn(-c2ccc(Br)cc2)c1=O)c1ccccn1
InChIInChI=1S/C16H11BrN4O2/c17-11-4-6-12(7-5-11)21-10-9-19-14(16(21)23)20-15(22)13-3-1-2-8-18-13/h1-10H,(H,19,20,22)
InChIKeyAYNPJBQLXDQTKB-UHFFFAOYSA-N
MW371.19 g/mol
LogP2.64
Rot. Bonds3

About N-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide

N-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide (PubChem CID 53118448) has the molecular formula C16H11BrN4O2 and a molecular weight of 371.19 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide
PubChem CID53118448
Molecular FormulaC16H11BrN4O2
Molecular Weight371.19 g/mol
Exact Mass370.01
IUPAC NameN-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1nccn(-c2ccc(Br)cc2)c1=O)c1ccccn1
InChIInChI=1S/C16H11BrN4O2/c17-11-4-6-12(7-5-11)21-10-9-19-14(16(21)23)20-15(22)13-3-1-2-8-18-13/h1-10H,(H,19,20,22)
InChIKeyAYNPJBQLXDQTKB-UHFFFAOYSA-N
XLogP2.64
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.19
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide (CID 53118448) is N-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide is O=C(Nc1nccn(-c2ccc(Br)cc2)c1=O)c1ccccn1.
What is the InChIKey of N-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide?
The InChIKey is AYNPJBQLXDQTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN4O2/c17-11-4-6-12(7-5-11)21-10-9-19-14(16(21)23)20-15(22)13-3-1-2-8-18-13/h1-10H,(H,19,20,22).
What are the key properties of N-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide?
N-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide has a molecular weight of 371.19 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 53118448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).