N-(6-chloro-2-pyridinyl)-5-oxopiperazine-2-carboxamide

C10H11ClN4O2 — CID 107437364

IUPACN-(6-chloro-2-pyridinyl)-5-oxopiperazine-2-carboxamide
SMILESO=C1CNC(C(=O)Nc2cccc(Cl)n2)CN1
InChIInChI=1S/C10H11ClN4O2/c11-7-2-1-3-8(14-7)15-10(17)6-4-13-9(16)5-12-6/h1-3,6,12H,4-5H2,(H,13,16)(H,14,15,17)
InChIKeyFOJGIUFJCIBYCE-UHFFFAOYSA-N
MW254.68 g/mol
LogP-0.24
Rot. Bonds2

About N-(6-chloro-2-pyridinyl)-5-oxopiperazine-2-carboxamide

N-(6-chloro-2-pyridinyl)-5-oxopiperazine-2-carboxamide (PubChem CID 107437364) has the molecular formula C10H11ClN4O2 and a molecular weight of 254.68 g/mol. Its IUPAC name is N-(6-chloro-2-pyridinyl)-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-2-pyridinyl)-5-oxopiperazine-2-carboxamide
PubChem CID107437364
Molecular FormulaC10H11ClN4O2
Molecular Weight254.68 g/mol
Exact Mass254.06
IUPAC NameN-(6-chloro-2-pyridinyl)-5-oxopiperazine-2-carboxamide
SMILESO=C1CNC(C(=O)Nc2cccc(Cl)n2)CN1
InChIInChI=1S/C10H11ClN4O2/c11-7-2-1-3-8(14-7)15-10(17)6-4-13-9(16)5-12-6/h1-3,6,12H,4-5H2,(H,13,16)(H,14,15,17)
InChIKeyFOJGIUFJCIBYCE-UHFFFAOYSA-N
XLogP-0.24
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(6-chloro-2-pyridinyl)-5-oxopiperazine-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

N-(6-chloro-2-pyridinyl)pyrrolidine-2-carboxamide
CID 79946508
5-oxo-N-(6-oxo-1H-pyridazin-3-yl)piperazine-2-carboxamide
CID 107437746
N-(5-methyl-1H-pyrazol-3-yl)-5-oxopiperazine-2-carboxamide
CID 107436577
N-(1-methylpyrazol-3-yl)-5-oxopiperazine-2-carboxamide
CID 107434741
N-(2,6-diethylphenyl)-5-oxopiperazine-2-carboxamide
CID 107433398
5-oxo-N-(1,3-thiazol-2-yl)piperazine-2-carboxamide
CID 107433315
N-(5-methyl-1,2-oxazol-3-yl)-5-oxopiperazine-2-carboxamide
CID 107433364
N-(4-hydroxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107434569
methyl 2-[(5-oxopiperazine-2-carbonyl)amino]benzoate
CID 107433947
N-(4-chloro-3-methoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107621868
N-[3-(methoxymethyl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107434107
3-chloro-4-[(5-oxopiperazine-2-carbonyl)amino]benzoic acid
CID 107436673

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-pyridinyl)-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-(6-chloro-2-pyridinyl)-5-oxopiperazine-2-carboxamide (CID 107437364) is N-(6-chloro-2-pyridinyl)-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-(6-chloro-2-pyridinyl)-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-(6-chloro-2-pyridinyl)-5-oxopiperazine-2-carboxamide is O=C1CNC(C(=O)Nc2cccc(Cl)n2)CN1.
What is the InChIKey of N-(6-chloro-2-pyridinyl)-5-oxopiperazine-2-carboxamide?
The InChIKey is FOJGIUFJCIBYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2/c11-7-2-1-3-8(14-7)15-10(17)6-4-13-9(16)5-12-6/h1-3,6,12H,4-5H2,(H,13,16)(H,14,15,17).
What are the key properties of N-(6-chloro-2-pyridinyl)-5-oxopiperazine-2-carboxamide?
N-(6-chloro-2-pyridinyl)-5-oxopiperazine-2-carboxamide has a molecular weight of 254.68 g/mol, XLogP of -0.24, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-pyridinyl)-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107437364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).