ethyl 2-[(2-methoxybenzoyl)amino]pyridine-3-carboxylate

C16H16N2O4 — CID 110443915

IUPACethyl 2-[(2-methoxybenzoyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NC(=O)c1ccccc1OC
InChIInChI=1S/C16H16N2O4/c1-3-22-16(20)12-8-6-10-17-14(12)18-15(19)11-7-4-5-9-13(11)21-2/h4-10H,3H2,1-2H3,(H,17,18,19)
InChIKeyWFMOKQPPMPAAOE-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.52
Rot. Bonds5

About ethyl 2-[(2-methoxybenzoyl)amino]pyridine-3-carboxylate

ethyl 2-[(2-methoxybenzoyl)amino]pyridine-3-carboxylate (PubChem CID 110443915) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is ethyl 2-[(2-methoxybenzoyl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-methoxybenzoyl)amino]pyridine-3-carboxylate
PubChem CID110443915
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Nameethyl 2-[(2-methoxybenzoyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NC(=O)c1ccccc1OC
InChIInChI=1S/C16H16N2O4/c1-3-22-16(20)12-8-6-10-17-14(12)18-15(19)11-7-4-5-9-13(11)21-2/h4-10H,3H2,1-2H3,(H,17,18,19)
InChIKeyWFMOKQPPMPAAOE-UHFFFAOYSA-N
XLogP2.52
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[2-hydroxy-2-(2-methoxyphenyl)ethyl]amino]pyridine-3-carboxylate
CID 47082819
ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652
N-isoquinolin-1-yl-2-methoxybenzamide
CID 53439282
ethyl 2-(1H-pyrrole-2-carbonylamino)pyridine-3-carboxylate
CID 110445359
ethyl 2-[(2-methoxybenzoyl)amino]thiophene-3-carboxylate
CID 7164081
ethyl 2-[[5-[(2-methoxybenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113022601
ethyl 2-[[6-[(2-methoxybenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113037000
ethyl 2-chloro-5-[(2-methoxybenzoyl)amino]benzoate
CID 507323
ethyl 2-(tert-butylamino)pyridine-3-carboxylate
CID 90095757
ethyl 2-[(3-acetamidobenzoyl)amino]pyridine-3-carboxylate
CID 110439896
ethyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate
CID 79106249
ethyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 104695551

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methoxybenzoyl)amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[(2-methoxybenzoyl)amino]pyridine-3-carboxylate (CID 110443915) is ethyl 2-[(2-methoxybenzoyl)amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[(2-methoxybenzoyl)amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[(2-methoxybenzoyl)amino]pyridine-3-carboxylate is CCOC(=O)c1cccnc1NC(=O)c1ccccc1OC.
What is the InChIKey of ethyl 2-[(2-methoxybenzoyl)amino]pyridine-3-carboxylate?
The InChIKey is WFMOKQPPMPAAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-3-22-16(20)12-8-6-10-17-14(12)18-15(19)11-7-4-5-9-13(11)21-2/h4-10H,3H2,1-2H3,(H,17,18,19).
What are the key properties of ethyl 2-[(2-methoxybenzoyl)amino]pyridine-3-carboxylate?
ethyl 2-[(2-methoxybenzoyl)amino]pyridine-3-carboxylate has a molecular weight of 300.31 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methoxybenzoyl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 110443915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).