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

C11H14BrClN4O — CID 114836327

IUPAC1-(3-bromo-5-chloro-2-pyridinyl)-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1c1ncc(Cl)cc1Br
InChIInChI=1S/C11H14BrClN4O/c1-14-11(18)9-6-15-2-3-17(9)10-8(12)4-7(13)5-16-10/h4-5,9,15H,2-3,6H2,1H3,(H,14,18)
InChIKeyDUKSXQLXZIAENX-UHFFFAOYSA-N
MW333.62 g/mol
LogP1.02
Rot. Bonds2

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

1-(3-bromo-5-chloro-2-pyridinyl)-N-methylpiperazine-2-carboxamide (PubChem CID 114836327) has the molecular formula C11H14BrClN4O and a molecular weight of 333.62 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-2-pyridinyl)-N-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-2-pyridinyl)-N-methylpiperazine-2-carboxamide
PubChem CID114836327
Molecular FormulaC11H14BrClN4O
Molecular Weight333.62 g/mol
Exact Mass332.00
IUPAC Name1-(3-bromo-5-chloro-2-pyridinyl)-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1c1ncc(Cl)cc1Br
InChIInChI=1S/C11H14BrClN4O/c1-14-11(18)9-6-15-2-3-17(9)10-8(12)4-7(13)5-16-10/h4-5,9,15H,2-3,6H2,1H3,(H,14,18)
InChIKeyDUKSXQLXZIAENX-UHFFFAOYSA-N
XLogP1.02
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.62
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-bromo-5-chloro-2-pyridinyl)-N-methylpiperazine-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

Related Compounds

1-(5-bromo-3-chloro-2-pyridinyl)-N-ethylpiperazine-2-carboxamide
CID 103582821
N-methyl-1-(2-oxo-1H-pyrazin-3-yl)piperazine-2-carboxamide
CID 114570988
1-(2-bromo-4-cyanophenyl)-N-methylpiperazine-2-carboxamide
CID 82810558
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperazine-2-carboxamide
CID 136978451
1-(5-amino-3-bromo-2-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 79532299
1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide
CID 103583251
4-(3-bromo-5-chloro-2-pyridinyl)-3-ethylpiperazin-2-one
CID 114837103
1-(3-bromo-4-chlorobenzoyl)-N-methylpiperazine-2-carboxamide
CID 107990506
1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 103583254
1-(5-bromo-4-fluoro-2-nitrophenyl)-N-methylpiperazine-2-carboxamide
CID 116739541
1-(3,5-dibromobenzoyl)-N-methylpiperazine-2-carboxamide
CID 107973359
1-(3-ethyltriazol-4-yl)-N-methylpiperazine-2-carboxamide
CID 114222991

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-2-pyridinyl)-N-methylpiperazine-2-carboxamide?
The IUPAC name of 1-(3-bromo-5-chloro-2-pyridinyl)-N-methylpiperazine-2-carboxamide (CID 114836327) is 1-(3-bromo-5-chloro-2-pyridinyl)-N-methylpiperazine-2-carboxamide.
What is the SMILES notation for 1-(3-bromo-5-chloro-2-pyridinyl)-N-methylpiperazine-2-carboxamide?
The canonical SMILES for 1-(3-bromo-5-chloro-2-pyridinyl)-N-methylpiperazine-2-carboxamide is CNC(=O)C1CNCCN1c1ncc(Cl)cc1Br.
What is the InChIKey of 1-(3-bromo-5-chloro-2-pyridinyl)-N-methylpiperazine-2-carboxamide?
The InChIKey is DUKSXQLXZIAENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN4O/c1-14-11(18)9-6-15-2-3-17(9)10-8(12)4-7(13)5-16-10/h4-5,9,15H,2-3,6H2,1H3,(H,14,18).
What are the key properties of 1-(3-bromo-5-chloro-2-pyridinyl)-N-methylpiperazine-2-carboxamide?
1-(3-bromo-5-chloro-2-pyridinyl)-N-methylpiperazine-2-carboxamide has a molecular weight of 333.62 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloro-2-pyridinyl)-N-methylpiperazine-2-carboxamide is sourced from PubChem (CID 114836327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).