ethyl 2-[(2,6-dimethoxybenzoyl)amino]pyridine-4-carboxylate

C17H18N2O5 — CID 108755443

IUPACethyl 2-[(2,6-dimethoxybenzoyl)amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(NC(=O)c2c(OC)cccc2OC)c1
InChIInChI=1S/C17H18N2O5/c1-4-24-17(21)11-8-9-18-14(10-11)19-16(20)15-12(22-2)6-5-7-13(15)23-3/h5-10H,4H2,1-3H3,(H,18,19,20)
InChIKeyCRGKJWNHJQFACY-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.53
Rot. Bonds6

About ethyl 2-[(2,6-dimethoxybenzoyl)amino]pyridine-4-carboxylate

ethyl 2-[(2,6-dimethoxybenzoyl)amino]pyridine-4-carboxylate (PubChem CID 108755443) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is ethyl 2-[(2,6-dimethoxybenzoyl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2,6-dimethoxybenzoyl)amino]pyridine-4-carboxylate
PubChem CID108755443
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Nameethyl 2-[(2,6-dimethoxybenzoyl)amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(NC(=O)c2c(OC)cccc2OC)c1
InChIInChI=1S/C17H18N2O5/c1-4-24-17(21)11-8-9-18-14(10-11)19-16(20)15-12(22-2)6-5-7-13(15)23-3/h5-10H,4H2,1-3H3,(H,18,19,20)
InChIKeyCRGKJWNHJQFACY-UHFFFAOYSA-N
XLogP2.53
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate
CID 108731954
ethyl 2-(pyridine-3-carbonylamino)pyridine-4-carboxylate
CID 108755424
ethyl 2-[[2-(2-methoxyethoxy)acetyl]amino]pyridine-4-carboxylate
CID 108731992
ethyl 4-[[2-(2-methoxyanilino)pyridine-4-carbonyl]amino]benzoate
CID 109177937
ethyl 4-[[2-(3-methoxyanilino)pyridine-4-carbonyl]amino]benzoate
CID 109178018
ethyl 2-[(4-acetyloxybenzoyl)amino]pyridine-4-carboxylate
CID 108731941
ethyl 2-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]pyridine-4-carboxylate
CID 108755554
methyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate
CID 171703679
ethyl 2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]pyridine-4-carboxylate
CID 108811140
methyl 2-(propanoylamino)pyridine-4-carboxylate
CID 67508364
ethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pyridine-4-carboxylate
CID 108755549
ethyl 4-[[4-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 46283329

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,6-dimethoxybenzoyl)amino]pyridine-4-carboxylate?
The IUPAC name of ethyl 2-[(2,6-dimethoxybenzoyl)amino]pyridine-4-carboxylate (CID 108755443) is ethyl 2-[(2,6-dimethoxybenzoyl)amino]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-[(2,6-dimethoxybenzoyl)amino]pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-[(2,6-dimethoxybenzoyl)amino]pyridine-4-carboxylate is CCOC(=O)c1ccnc(NC(=O)c2c(OC)cccc2OC)c1.
What is the InChIKey of ethyl 2-[(2,6-dimethoxybenzoyl)amino]pyridine-4-carboxylate?
The InChIKey is CRGKJWNHJQFACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-4-24-17(21)11-8-9-18-14(10-11)19-16(20)15-12(22-2)6-5-7-13(15)23-3/h5-10H,4H2,1-3H3,(H,18,19,20).
What are the key properties of ethyl 2-[(2,6-dimethoxybenzoyl)amino]pyridine-4-carboxylate?
ethyl 2-[(2,6-dimethoxybenzoyl)amino]pyridine-4-carboxylate has a molecular weight of 330.34 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,6-dimethoxybenzoyl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 108755443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).