1-(5-bromo-3-chloro-2-pyridinyl)-N-ethylpiperazine-2-carboxamide

C12H16BrClN4O — CID 103582821

IUPAC1-(5-bromo-3-chloro-2-pyridinyl)-N-ethylpiperazine-2-carboxamide
SMILESCCNC(=O)C1CNCCN1c1ncc(Br)cc1Cl
InChIInChI=1S/C12H16BrClN4O/c1-2-16-12(19)10-7-15-3-4-18(10)11-9(14)5-8(13)6-17-11/h5-6,10,15H,2-4,7H2,1H3,(H,16,19)
InChIKeyJYOASMGTEBKGFS-UHFFFAOYSA-N
MW347.64 g/mol
LogP1.41
Rot. Bonds3

About 1-(5-bromo-3-chloro-2-pyridinyl)-N-ethylpiperazine-2-carboxamide

1-(5-bromo-3-chloro-2-pyridinyl)-N-ethylpiperazine-2-carboxamide (PubChem CID 103582821) has the molecular formula C12H16BrClN4O and a molecular weight of 347.64 g/mol. Its IUPAC name is 1-(5-bromo-3-chloro-2-pyridinyl)-N-ethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-3-chloro-2-pyridinyl)-N-ethylpiperazine-2-carboxamide
PubChem CID103582821
Molecular FormulaC12H16BrClN4O
Molecular Weight347.64 g/mol
Exact Mass346.02
IUPAC Name1-(5-bromo-3-chloro-2-pyridinyl)-N-ethylpiperazine-2-carboxamide
SMILESCCNC(=O)C1CNCCN1c1ncc(Br)cc1Cl
InChIInChI=1S/C12H16BrClN4O/c1-2-16-12(19)10-7-15-3-4-18(10)11-9(14)5-8(13)6-17-11/h5-6,10,15H,2-4,7H2,1H3,(H,16,19)
InChIKeyJYOASMGTEBKGFS-UHFFFAOYSA-N
XLogP1.41
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.64
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(5-bromo-3-chloro-2-pyridinyl)-N-ethylpiperazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-chloro-2-pyridinyl)-N-ethylpiperazine-2-carboxamide?
The IUPAC name of 1-(5-bromo-3-chloro-2-pyridinyl)-N-ethylpiperazine-2-carboxamide (CID 103582821) is 1-(5-bromo-3-chloro-2-pyridinyl)-N-ethylpiperazine-2-carboxamide.
What is the SMILES notation for 1-(5-bromo-3-chloro-2-pyridinyl)-N-ethylpiperazine-2-carboxamide?
The canonical SMILES for 1-(5-bromo-3-chloro-2-pyridinyl)-N-ethylpiperazine-2-carboxamide is CCNC(=O)C1CNCCN1c1ncc(Br)cc1Cl.
What is the InChIKey of 1-(5-bromo-3-chloro-2-pyridinyl)-N-ethylpiperazine-2-carboxamide?
The InChIKey is JYOASMGTEBKGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN4O/c1-2-16-12(19)10-7-15-3-4-18(10)11-9(14)5-8(13)6-17-11/h5-6,10,15H,2-4,7H2,1H3,(H,16,19).
What are the key properties of 1-(5-bromo-3-chloro-2-pyridinyl)-N-ethylpiperazine-2-carboxamide?
1-(5-bromo-3-chloro-2-pyridinyl)-N-ethylpiperazine-2-carboxamide has a molecular weight of 347.64 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-chloro-2-pyridinyl)-N-ethylpiperazine-2-carboxamide is sourced from PubChem (CID 103582821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).