methyl 3-[(5-methyl-2-pyridinyl)carbamoyl]benzoate

C15H14N2O3 — CID 108799744

IUPACmethyl 3-[(5-methyl-2-pyridinyl)carbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)Nc2ccc(C)cn2)c1
InChIInChI=1S/C15H14N2O3/c1-10-6-7-13(16-9-10)17-14(18)11-4-3-5-12(8-11)15(19)20-2/h3-9H,1-2H3,(H,16,17,18)
InChIKeyWEACZOMVTAMTGC-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.43
Rot. Bonds3

About methyl 3-[(5-methyl-2-pyridinyl)carbamoyl]benzoate

methyl 3-[(5-methyl-2-pyridinyl)carbamoyl]benzoate (PubChem CID 108799744) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is methyl 3-[(5-methyl-2-pyridinyl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[(5-methyl-2-pyridinyl)carbamoyl]benzoate
PubChem CID108799744
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Namemethyl 3-[(5-methyl-2-pyridinyl)carbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)Nc2ccc(C)cn2)c1
InChIInChI=1S/C15H14N2O3/c1-10-6-7-13(16-9-10)17-14(18)11-4-3-5-12(8-11)15(19)20-2/h3-9H,1-2H3,(H,16,17,18)
InChIKeyWEACZOMVTAMTGC-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

3,4-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide;hydrochloride
CID 163326261
methyl 6-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-2-carboxylate
CID 47325772
methyl 3-[(6-methyl-2-pyridinyl)carbamoyl]benzoate
CID 108799748
methyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate
CID 171703679
3-(2,2-dimethylpropanoylamino)-N-(5-methyl-2-pyridinyl)benzamide
CID 35344360
ethane;methyl 6-benzamidopyridine-3-carboxylate
CID 91195390
3-[3-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]prop-2-enoic acid
CID 76906670
methyl 3-[[6-(4-methylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109162269
3,5-dibromo-N-(5-methyl-2-pyridinyl)benzamide
CID 103907650
3,5-dichloro-N-(5-methyl-2-pyridinyl)benzamide
CID 5063171
3-(3-aminoprop-1-ynyl)-N-(5-methyl-2-pyridinyl)benzamide
CID 60821779
4-bromo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide
CID 113338779

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-methyl-2-pyridinyl)carbamoyl]benzoate?
The IUPAC name of methyl 3-[(5-methyl-2-pyridinyl)carbamoyl]benzoate (CID 108799744) is methyl 3-[(5-methyl-2-pyridinyl)carbamoyl]benzoate.
What is the SMILES notation for methyl 3-[(5-methyl-2-pyridinyl)carbamoyl]benzoate?
The canonical SMILES for methyl 3-[(5-methyl-2-pyridinyl)carbamoyl]benzoate is COC(=O)c1cccc(C(=O)Nc2ccc(C)cn2)c1.
What is the InChIKey of methyl 3-[(5-methyl-2-pyridinyl)carbamoyl]benzoate?
The InChIKey is WEACZOMVTAMTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-6-7-13(16-9-10)17-14(18)11-4-3-5-12(8-11)15(19)20-2/h3-9H,1-2H3,(H,16,17,18).
What are the key properties of methyl 3-[(5-methyl-2-pyridinyl)carbamoyl]benzoate?
methyl 3-[(5-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-[(5-methyl-2-pyridinyl)carbamoyl]benzoate is sourced from PubChem (CID 108799744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).