ethyl 3-[(4-ethoxycarbonyl-2,5-dihydroxybenzoyl)amino]pyridine-4-carboxylate

C18H18N2O7 — CID 156760612

IUPACethyl 3-[(4-ethoxycarbonyl-2,5-dihydroxybenzoyl)amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(O)c(C(=O)Nc2cnccc2C(=O)OCC)cc1O
InChIInChI=1S/C18H18N2O7/c1-3-26-17(24)10-5-6-19-9-13(10)20-16(23)11-7-15(22)12(8-14(11)21)18(25)27-4-2/h5-9,21-22H,3-4H2,1-2H3,(H,20,23)
InChIKeyRIVATOQEQDXOIC-UHFFFAOYSA-N
MW374.35 g/mol
LogP2.10
Rot. Bonds6

About ethyl 3-[(4-ethoxycarbonyl-2,5-dihydroxybenzoyl)amino]pyridine-4-carboxylate

ethyl 3-[(4-ethoxycarbonyl-2,5-dihydroxybenzoyl)amino]pyridine-4-carboxylate (PubChem CID 156760612) has the molecular formula C18H18N2O7 and a molecular weight of 374.35 g/mol. Its IUPAC name is ethyl 3-[(4-ethoxycarbonyl-2,5-dihydroxybenzoyl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(4-ethoxycarbonyl-2,5-dihydroxybenzoyl)amino]pyridine-4-carboxylate
PubChem CID156760612
Molecular FormulaC18H18N2O7
Molecular Weight374.35 g/mol
Exact Mass374.11
IUPAC Nameethyl 3-[(4-ethoxycarbonyl-2,5-dihydroxybenzoyl)amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(O)c(C(=O)Nc2cnccc2C(=O)OCC)cc1O
InChIInChI=1S/C18H18N2O7/c1-3-26-17(24)10-5-6-19-9-13(10)20-16(23)11-7-15(22)12(8-14(11)21)18(25)27-4-2/h5-9,21-22H,3-4H2,1-2H3,(H,20,23)
InChIKeyRIVATOQEQDXOIC-UHFFFAOYSA-N
XLogP2.10
TPSA135.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze ethyl 3-[(4-ethoxycarbonyl-2,5-dihydroxybenzoyl)amino]pyridine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-[(3-acetamidopyridine-4-carbonyl)amino]pyridine-4-carboxylate
CID 71119003
ethyl 3-(2,2-dimethylpropanoylamino)pyridine-4-carboxylate
CID 139270358
ethyl 3-propan-2-ylpyridine-4-carboxylate
CID 131699762
ethyl 5-[2-[(4-carbamoyl-3-pyridinyl)amino]-2-oxoethoxy]-2-chlorobenzoate
CID 121302791
N-(2-amino-4,5-dimethylphenyl)-3-hydroxypyridine-4-carboxamide
CID 81446459
ethyl 4-acetamido-2-hydroxybenzoate
CID 11665741
N-(4-amino-2,5-dimethylphenyl)-3-hydroxypyridine-4-carboxamide
CID 103144448
2-hydroxy-N-(4-methyl-3-pyridinyl)benzamide
CID 63327806
ethyl 8-hydroxyisoquinoline-6-carboxylate
CID 137117771
ethyl 6-hydroxyquinoline-7-carboxylate
CID 133084141
3-[(4-hydroxy-3-methylbenzoyl)amino]pyridine-4-carboxylic acid
CID 107674941
ethyl 4-ethylperoxycarbonyl-2,5-dihydroxybenzoate
CID 21031386

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-ethoxycarbonyl-2,5-dihydroxybenzoyl)amino]pyridine-4-carboxylate?
The IUPAC name of ethyl 3-[(4-ethoxycarbonyl-2,5-dihydroxybenzoyl)amino]pyridine-4-carboxylate (CID 156760612) is ethyl 3-[(4-ethoxycarbonyl-2,5-dihydroxybenzoyl)amino]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-[(4-ethoxycarbonyl-2,5-dihydroxybenzoyl)amino]pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-[(4-ethoxycarbonyl-2,5-dihydroxybenzoyl)amino]pyridine-4-carboxylate is CCOC(=O)c1cc(O)c(C(=O)Nc2cnccc2C(=O)OCC)cc1O.
What is the InChIKey of ethyl 3-[(4-ethoxycarbonyl-2,5-dihydroxybenzoyl)amino]pyridine-4-carboxylate?
The InChIKey is RIVATOQEQDXOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O7/c1-3-26-17(24)10-5-6-19-9-13(10)20-16(23)11-7-15(22)12(8-14(11)21)18(25)27-4-2/h5-9,21-22H,3-4H2,1-2H3,(H,20,23).
What are the key properties of ethyl 3-[(4-ethoxycarbonyl-2,5-dihydroxybenzoyl)amino]pyridine-4-carboxylate?
ethyl 3-[(4-ethoxycarbonyl-2,5-dihydroxybenzoyl)amino]pyridine-4-carboxylate has a molecular weight of 374.35 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-ethoxycarbonyl-2,5-dihydroxybenzoyl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 156760612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).