methyl 6-[(3,4-dimethylphenyl)carbamoyl]pyridine-2-carboxylate

C16H16N2O3 — CID 46394492

IUPACmethyl 6-[(3,4-dimethylphenyl)carbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C16H16N2O3/c1-10-7-8-12(9-11(10)2)17-15(19)13-5-4-6-14(18-13)16(20)21-3/h4-9H,1-3H3,(H,17,19)
InChIKeyIGXCQCHUBSYVHI-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.74
Rot. Bonds3

About methyl 6-[(3,4-dimethylphenyl)carbamoyl]pyridine-2-carboxylate

methyl 6-[(3,4-dimethylphenyl)carbamoyl]pyridine-2-carboxylate (PubChem CID 46394492) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is methyl 6-[(3,4-dimethylphenyl)carbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(3,4-dimethylphenyl)carbamoyl]pyridine-2-carboxylate
PubChem CID46394492
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Namemethyl 6-[(3,4-dimethylphenyl)carbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C16H16N2O3/c1-10-7-8-12(9-11(10)2)17-15(19)13-5-4-6-14(18-13)16(20)21-3/h4-9H,1-3H3,(H,17,19)
InChIKeyIGXCQCHUBSYVHI-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

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3,4-dimethylphenyl)carbamoyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(3,4-dimethylphenyl)carbamoyl]pyridine-2-carboxylate (CID 46394492) is methyl 6-[(3,4-dimethylphenyl)carbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(3,4-dimethylphenyl)carbamoyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(3,4-dimethylphenyl)carbamoyl]pyridine-2-carboxylate is COC(=O)c1cccc(C(=O)Nc2ccc(C)c(C)c2)n1.
What is the InChIKey of methyl 6-[(3,4-dimethylphenyl)carbamoyl]pyridine-2-carboxylate?
The InChIKey is IGXCQCHUBSYVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10-7-8-12(9-11(10)2)17-15(19)13-5-4-6-14(18-13)16(20)21-3/h4-9H,1-3H3,(H,17,19).
What are the key properties of methyl 6-[(3,4-dimethylphenyl)carbamoyl]pyridine-2-carboxylate?
methyl 6-[(3,4-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-[(3,4-dimethylphenyl)carbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 46394492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).