[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate

C16H16N2O4 — CID 2714935

IUPAC[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate
SMILESCOc1ccccc1CNC(=O)COC(=O)c1ccccn1
InChIInChI=1S/C16H16N2O4/c1-21-14-8-3-2-6-12(14)10-18-15(19)11-22-16(20)13-7-4-5-9-17-13/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyCPFZFFMYMTVMDO-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.56
Rot. Bonds6

About [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate (PubChem CID 2714935) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate
PubChem CID2714935
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate
SMILESCOc1ccccc1CNC(=O)COC(=O)c1ccccn1
InChIInChI=1S/C16H16N2O4/c1-21-14-8-3-2-6-12(14)10-18-15(19)11-22-16(20)13-7-4-5-9-17-13/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyCPFZFFMYMTVMDO-UHFFFAOYSA-N
XLogP1.56
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7950190
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] pyridine-2-carboxylate
CID 7776378
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 8536203
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7949391
2-(2-ethylphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide
CID 2709267
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 2644716
N'-[2-(2-methoxyphenyl)acetyl]pyridine-2-carbohydrazide
CID 27661730
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 8905581
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 8877888
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2629966
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 8002848
N-[(2-methoxyphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17435695

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate?
The IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate (CID 2714935) is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate.
What is the SMILES notation for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate?
The canonical SMILES for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate is COc1ccccc1CNC(=O)COC(=O)c1ccccn1.
What is the InChIKey of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate?
The InChIKey is CPFZFFMYMTVMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-21-14-8-3-2-6-12(14)10-18-15(19)11-22-16(20)13-7-4-5-9-17-13/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate?
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate has a molecular weight of 300.31 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate is sourced from PubChem (CID 2714935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).