methyl 6-[(2,3-dimethylphenyl)carbamoyl]pyridine-2-carboxylate

C16H16N2O3 — CID 46394477

IUPACmethyl 6-[(2,3-dimethylphenyl)carbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)Nc2cccc(C)c2C)n1
InChIInChI=1S/C16H16N2O3/c1-10-6-4-7-12(11(10)2)18-15(19)13-8-5-9-14(17-13)16(20)21-3/h4-9H,1-3H3,(H,18,19)
InChIKeyJSBSTTGFLJCPHC-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.74
Rot. Bonds3

About methyl 6-[(2,3-dimethylphenyl)carbamoyl]pyridine-2-carboxylate

methyl 6-[(2,3-dimethylphenyl)carbamoyl]pyridine-2-carboxylate (PubChem CID 46394477) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is methyl 6-[(2,3-dimethylphenyl)carbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2,3-dimethylphenyl)carbamoyl]pyridine-2-carboxylate
PubChem CID46394477
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Namemethyl 6-[(2,3-dimethylphenyl)carbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)Nc2cccc(C)c2C)n1
InChIInChI=1S/C16H16N2O3/c1-10-6-4-7-12(11(10)2)18-15(19)13-8-5-9-14(17-13)16(20)21-3/h4-9H,1-3H3,(H,18,19)
InChIKeyJSBSTTGFLJCPHC-UHFFFAOYSA-N
XLogP2.74
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 6-[(2,3-dimethylphenyl)carbamoyl]pyridine-2-carboxylate 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 methyl 6-[(2,3-dimethylphenyl)carbamoyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(2,3-dimethylphenyl)carbamoyl]pyridine-2-carboxylate (CID 46394477) is methyl 6-[(2,3-dimethylphenyl)carbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(2,3-dimethylphenyl)carbamoyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(2,3-dimethylphenyl)carbamoyl]pyridine-2-carboxylate is COC(=O)c1cccc(C(=O)Nc2cccc(C)c2C)n1.
What is the InChIKey of methyl 6-[(2,3-dimethylphenyl)carbamoyl]pyridine-2-carboxylate?
The InChIKey is JSBSTTGFLJCPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10-6-4-7-12(11(10)2)18-15(19)13-8-5-9-14(17-13)16(20)21-3/h4-9H,1-3H3,(H,18,19).
What are the key properties of methyl 6-[(2,3-dimethylphenyl)carbamoyl]pyridine-2-carboxylate?
methyl 6-[(2,3-dimethylphenyl)carbamoyl]pyridine-2-carboxylate has a molecular weight of 284.32 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2,3-dimethylphenyl)carbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 46394477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).