1-[(6-chloro-5-methyl-2-pyridinyl)-methylamino]-3,4-dimethylpyrrole-2,5-dione

C13H14ClN3O2 — CID 58230267

IUPAC1-[(6-chloro-5-methyl-2-pyridinyl)-methylamino]-3,4-dimethylpyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(N(C)c2ccc(C)c(Cl)n2)C1=O
InChIInChI=1S/C13H14ClN3O2/c1-7-5-6-10(15-11(7)14)16(4)17-12(18)8(2)9(3)13(17)19/h5-6H,1-4H3
InChIKeyPFOALIPORZMGOB-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.10
Rot. Bonds2

About 1-[(6-chloro-5-methyl-2-pyridinyl)-methylamino]-3,4-dimethylpyrrole-2,5-dione

1-[(6-chloro-5-methyl-2-pyridinyl)-methylamino]-3,4-dimethylpyrrole-2,5-dione (PubChem CID 58230267) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 1-[(6-chloro-5-methyl-2-pyridinyl)-methylamino]-3,4-dimethylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(6-chloro-5-methyl-2-pyridinyl)-methylamino]-3,4-dimethylpyrrole-2,5-dione
PubChem CID58230267
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name1-[(6-chloro-5-methyl-2-pyridinyl)-methylamino]-3,4-dimethylpyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(N(C)c2ccc(C)c(Cl)n2)C1=O
InChIInChI=1S/C13H14ClN3O2/c1-7-5-6-10(15-11(7)14)16(4)17-12(18)8(2)9(3)13(17)19/h5-6H,1-4H3
InChIKeyPFOALIPORZMGOB-UHFFFAOYSA-N
XLogP2.10
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(6-chloro-5-methyl-2-pyridinyl)-methylamino]-3,4-dimethylpyrrole-2,5-dione 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-[(6-chloro-5-methyl-2-pyridinyl)-methylamino]-3,4-dimethylpyrrole-2,5-dione?
The IUPAC name of 1-[(6-chloro-5-methyl-2-pyridinyl)-methylamino]-3,4-dimethylpyrrole-2,5-dione (CID 58230267) is 1-[(6-chloro-5-methyl-2-pyridinyl)-methylamino]-3,4-dimethylpyrrole-2,5-dione.
What is the SMILES notation for 1-[(6-chloro-5-methyl-2-pyridinyl)-methylamino]-3,4-dimethylpyrrole-2,5-dione?
The canonical SMILES for 1-[(6-chloro-5-methyl-2-pyridinyl)-methylamino]-3,4-dimethylpyrrole-2,5-dione is CC1=C(C)C(=O)N(N(C)c2ccc(C)c(Cl)n2)C1=O.
What is the InChIKey of 1-[(6-chloro-5-methyl-2-pyridinyl)-methylamino]-3,4-dimethylpyrrole-2,5-dione?
The InChIKey is PFOALIPORZMGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-7-5-6-10(15-11(7)14)16(4)17-12(18)8(2)9(3)13(17)19/h5-6H,1-4H3.
What are the key properties of 1-[(6-chloro-5-methyl-2-pyridinyl)-methylamino]-3,4-dimethylpyrrole-2,5-dione?
1-[(6-chloro-5-methyl-2-pyridinyl)-methylamino]-3,4-dimethylpyrrole-2,5-dione has a molecular weight of 279.73 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-5-methyl-2-pyridinyl)-methylamino]-3,4-dimethylpyrrole-2,5-dione is sourced from PubChem (CID 58230267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).