N-[2-[[2-(4-bromophenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide

C16H16BrN3O3 — CID 2991712

IUPACN-[2-[[2-(4-bromophenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide
SMILESO=C(COc1ccc(Br)cc1)NCCNC(=O)c1ccccn1
InChIInChI=1S/C16H16BrN3O3/c17-12-4-6-13(7-5-12)23-11-15(21)19-9-10-20-16(22)14-3-1-2-8-18-14/h1-8H,9-11H2,(H,19,21)(H,20,22)
InChIKeyZNAILLAEPLLHJS-UHFFFAOYSA-N
MW378.23 g/mol
LogP1.77
Rot. Bonds7

About N-[2-[[2-(4-bromophenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide

N-[2-[[2-(4-bromophenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide (PubChem CID 2991712) has the molecular formula C16H16BrN3O3 and a molecular weight of 378.23 g/mol. Its IUPAC name is N-[2-[[2-(4-bromophenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(4-bromophenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide
PubChem CID2991712
Molecular FormulaC16H16BrN3O3
Molecular Weight378.23 g/mol
Exact Mass377.04
IUPAC NameN-[2-[[2-(4-bromophenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide
SMILESO=C(COc1ccc(Br)cc1)NCCNC(=O)c1ccccn1
InChIInChI=1S/C16H16BrN3O3/c17-12-4-6-13(7-5-12)23-11-15(21)19-9-10-20-16(22)14-3-1-2-8-18-14/h1-8H,9-11H2,(H,19,21)(H,20,22)
InChIKeyZNAILLAEPLLHJS-UHFFFAOYSA-N
XLogP1.77
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.23
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-bromophenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[[2-(4-bromophenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide (CID 2991712) is N-[2-[[2-(4-bromophenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(4-bromophenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[[2-(4-bromophenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide is O=C(COc1ccc(Br)cc1)NCCNC(=O)c1ccccn1.
What is the InChIKey of N-[2-[[2-(4-bromophenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide?
The InChIKey is ZNAILLAEPLLHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O3/c17-12-4-6-13(7-5-12)23-11-15(21)19-9-10-20-16(22)14-3-1-2-8-18-14/h1-8H,9-11H2,(H,19,21)(H,20,22).
What are the key properties of N-[2-[[2-(4-bromophenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide?
N-[2-[[2-(4-bromophenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide has a molecular weight of 378.23 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-bromophenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 2991712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).