4-(5-amino-3-chloro-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione

C11H13ClN4O2 — CID 114046259

IUPAC4-(5-amino-3-chloro-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1c1ncc(N)cc1Cl
InChIInChI=1S/C11H13ClN4O2/c1-11(2)10(18)15-8(17)5-16(11)9-7(12)3-6(13)4-14-9/h3-4H,5,13H2,1-2H3,(H,15,17,18)
InChIKeyPAKPDGKSZGPMAA-UHFFFAOYSA-N
MW268.70 g/mol
LogP0.56
Rot. Bonds1

About 4-(5-amino-3-chloro-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione

4-(5-amino-3-chloro-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione (PubChem CID 114046259) has the molecular formula C11H13ClN4O2 and a molecular weight of 268.70 g/mol. Its IUPAC name is 4-(5-amino-3-chloro-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(5-amino-3-chloro-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione
PubChem CID114046259
Molecular FormulaC11H13ClN4O2
Molecular Weight268.70 g/mol
Exact Mass268.07
IUPAC Name4-(5-amino-3-chloro-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1c1ncc(N)cc1Cl
InChIInChI=1S/C11H13ClN4O2/c1-11(2)10(18)15-8(17)5-16(11)9-7(12)3-6(13)4-14-9/h3-4H,5,13H2,1-2H3,(H,15,17,18)
InChIKeyPAKPDGKSZGPMAA-UHFFFAOYSA-N
XLogP0.56
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(5-amino-3-chloro-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione with MolForge

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Related Compounds

4-(6-amino-3,5-dichloro-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione
CID 102758858
4-(3-amino-5-methyl-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione
CID 66278904
4-(6-amino-5-methylpyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione
CID 80851060
4-(6-aminoquinazolin-4-yl)-3,3-dimethylpiperazine-2,6-dione
CID 66074348
4-(2-amino-5-chloropyridine-4-carbonyl)-3,3-dimethylpiperazine-2,6-dione
CID 114923959
4-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione
CID 103322008
4-(6-amino-5-propylpyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione
CID 80851224
4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione
CID 103328728
4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3,3-dimethylpiperazine-2,6-dione
CID 106768016
4-(5-bromo-4-methyl-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione
CID 114870471
4-(4-amino-3,5-dichlorobenzoyl)-3,3-dimethylpiperazine-2,6-dione
CID 82813797
5-chloro-6-(4-fluoro-4-methylpiperidin-1-yl)pyridin-3-amine
CID 166952157

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-3-chloro-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 4-(5-amino-3-chloro-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione (CID 114046259) is 4-(5-amino-3-chloro-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(5-amino-3-chloro-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 4-(5-amino-3-chloro-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione is CC1(C)C(=O)NC(=O)CN1c1ncc(N)cc1Cl.
What is the InChIKey of 4-(5-amino-3-chloro-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is PAKPDGKSZGPMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2/c1-11(2)10(18)15-8(17)5-16(11)9-7(12)3-6(13)4-14-9/h3-4H,5,13H2,1-2H3,(H,15,17,18).
What are the key properties of 4-(5-amino-3-chloro-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione?
4-(5-amino-3-chloro-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 268.70 g/mol, XLogP of 0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-3-chloro-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 114046259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).