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

C16H16N2O3 — CID 31695014

IUPACmethyl 6-[(3,4-dimethylphenyl)carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(C)c(C)c2)nc1
InChIInChI=1S/C16H16N2O3/c1-10-4-6-13(8-11(10)2)18-15(19)14-7-5-12(9-17-14)16(20)21-3/h4-9H,1-3H3,(H,18,19)
InChIKeyGFLQUZPDEUXLDB-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.74
Rot. Bonds3

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

methyl 6-[(3,4-dimethylphenyl)carbamoyl]pyridine-3-carboxylate (PubChem CID 31695014) 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-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(3,4-dimethylphenyl)carbamoyl]pyridine-3-carboxylate
PubChem CID31695014
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Namemethyl 6-[(3,4-dimethylphenyl)carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(C)c(C)c2)nc1
InChIInChI=1S/C16H16N2O3/c1-10-4-6-13(8-11(10)2)18-15(19)14-7-5-12(9-17-14)16(20)21-3/h4-9H,1-3H3,(H,18,19)
InChIKeyGFLQUZPDEUXLDB-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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Related Compounds

methyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-3-carboxylate
CID 31809423
methyl 4-[[6-[(3-chloro-4-methylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199478
methyl 6-(2,3-dihydro-1H-inden-5-ylcarbamoyl)pyridine-3-carboxylate
CID 32642819
methyl 4-[[6-(3,4-dimethylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109162644
N-(3,4-dimethylphenyl)-2-methoxypyrimidine-5-carboxamide
CID 53337925
methyl 6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate
CID 33442469
methyl 6-[[3-(sulfamoylamino)phenyl]carbamoyl]pyridine-3-carboxylate
CID 55559964
methyl 5-[(6-methoxycarbonyl-3-pyridinyl)carbamoyl]pyridine-2-carboxylate
CID 166208657
methyl 4-[[6-[(3,5-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109198170
N-(3,4-dimethylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181294
methyl 4-[[5-(N-methylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109197694
5-hydrazinyl-N-(4-methoxy-3-methylphenyl)pyridine-2-carboxamide
CID 104642300

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3,4-dimethylphenyl)carbamoyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(3,4-dimethylphenyl)carbamoyl]pyridine-3-carboxylate (CID 31695014) is methyl 6-[(3,4-dimethylphenyl)carbamoyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(3,4-dimethylphenyl)carbamoyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(3,4-dimethylphenyl)carbamoyl]pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)Nc2ccc(C)c(C)c2)nc1.
What is the InChIKey of methyl 6-[(3,4-dimethylphenyl)carbamoyl]pyridine-3-carboxylate?
The InChIKey is GFLQUZPDEUXLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10-4-6-13(8-11(10)2)18-15(19)14-7-5-12(9-17-14)16(20)21-3/h4-9H,1-3H3,(H,18,19).
What are the key properties of methyl 6-[(3,4-dimethylphenyl)carbamoyl]pyridine-3-carboxylate?
methyl 6-[(3,4-dimethylphenyl)carbamoyl]pyridine-3-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-3-carboxylate is sourced from PubChem (CID 31695014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).