methyl 3-[(6-methyl-2-pyridinyl)carbamoyl]benzoate

C15H14N2O3 — CID 108799748

IUPACmethyl 3-[(6-methyl-2-pyridinyl)carbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)Nc2cccc(C)n2)c1
InChIInChI=1S/C15H14N2O3/c1-10-5-3-8-13(16-10)17-14(18)11-6-4-7-12(9-11)15(19)20-2/h3-9H,1-2H3,(H,16,17,18)
InChIKeyLLKQGMDJQGMBTJ-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.43
Rot. Bonds3

About methyl 3-[(6-methyl-2-pyridinyl)carbamoyl]benzoate

methyl 3-[(6-methyl-2-pyridinyl)carbamoyl]benzoate (PubChem CID 108799748) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is methyl 3-[(6-methyl-2-pyridinyl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[(6-methyl-2-pyridinyl)carbamoyl]benzoate
PubChem CID108799748
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Namemethyl 3-[(6-methyl-2-pyridinyl)carbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)Nc2cccc(C)n2)c1
InChIInChI=1S/C15H14N2O3/c1-10-5-3-8-13(16-10)17-14(18)11-6-4-7-12(9-11)15(19)20-2/h3-9H,1-2H3,(H,16,17,18)
InChIKeyLLKQGMDJQGMBTJ-UHFFFAOYSA-N
XLogP2.43
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(6-methyl-2-pyridinyl)benzamide
CID 966005
3,4-diamino-N-(6-methyl-2-pyridinyl)benzamide
CID 22411201
methyl 3-[(5-methyl-2-pyridinyl)carbamoyl]benzoate
CID 108799744
3-benzamido-4-methyl-N-(6-methyl-2-pyridinyl)benzamide
CID 46411335
methyl 4-[(E)-1-[1-[(6-methyl-2-pyridinyl)amino]ethenylsulfanyl]prop-1-en-2-yl]benzoate
CID 167162552
methyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate
CID 171703679
CID 70265363
CID 70265363
CID 159558349
CID 159558349
methyl 3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate
CID 46493816
N-(6-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 708615
N-(6-methyl-2-pyridinyl)-1H-indazole-6-carboxamide
CID 55023758
methyl 3-[(4-acetamidophenyl)carbamoyl]benzoate
CID 17175145

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(6-methyl-2-pyridinyl)carbamoyl]benzoate?
The IUPAC name of methyl 3-[(6-methyl-2-pyridinyl)carbamoyl]benzoate (CID 108799748) is methyl 3-[(6-methyl-2-pyridinyl)carbamoyl]benzoate.
What is the SMILES notation for methyl 3-[(6-methyl-2-pyridinyl)carbamoyl]benzoate?
The canonical SMILES for methyl 3-[(6-methyl-2-pyridinyl)carbamoyl]benzoate is COC(=O)c1cccc(C(=O)Nc2cccc(C)n2)c1.
What is the InChIKey of methyl 3-[(6-methyl-2-pyridinyl)carbamoyl]benzoate?
The InChIKey is LLKQGMDJQGMBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-5-3-8-13(16-10)17-14(18)11-6-4-7-12(9-11)15(19)20-2/h3-9H,1-2H3,(H,16,17,18).
What are the key properties of methyl 3-[(6-methyl-2-pyridinyl)carbamoyl]benzoate?
methyl 3-[(6-methyl-2-pyridinyl)carbamoyl]benzoate has a molecular weight of 270.29 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(6-methyl-2-pyridinyl)carbamoyl]benzoate is sourced from PubChem (CID 108799748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).