ethyl 2-amino-7-cyclohexyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate

C21H22N2O4 — CID 130275109

IUPACethyl 2-amino-7-cyclohexyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(=O)c3cc(C4CCCCC4)ccc3oc2nc1N
InChIInChI=1S/C21H22N2O4/c1-2-26-21(25)16-11-15-18(24)14-10-13(12-6-4-3-5-7-12)8-9-17(14)27-20(15)23-19(16)22/h8-12H,2-7H2,1H3,(H2,22,23)
InChIKeyFWIKQONUBVPBAC-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.15
Rot. Bonds3

About ethyl 2-amino-7-cyclohexyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate

ethyl 2-amino-7-cyclohexyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate (PubChem CID 130275109) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is ethyl 2-amino-7-cyclohexyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-7-cyclohexyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
PubChem CID130275109
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Nameethyl 2-amino-7-cyclohexyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(=O)c3cc(C4CCCCC4)ccc3oc2nc1N
InChIInChI=1S/C21H22N2O4/c1-2-26-21(25)16-11-15-18(24)14-10-13(12-6-4-3-5-7-12)8-9-17(14)27-20(15)23-19(16)22/h8-12H,2-7H2,1H3,(H2,22,23)
InChIKeyFWIKQONUBVPBAC-UHFFFAOYSA-N
XLogP4.15
TPSA95.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze ethyl 2-amino-7-cyclohexyl-5-oxochromeno[2,3-b]pyridine-3-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 2-amino-7-bromo-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 12540577
7-cyclopentyl-2-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
CID 157459588
ethyl 2-amino-7-(3,3-dimethylbutyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 130276879
2-amino-7-(4-hydroxycyclohexyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
CID 130275503
2-amino-5-oxo-7-(4-oxocyclohexyl)chromeno[2,3-b]pyridine-3-carboxylic acid
CID 130275332
2-amino-7-(4,4-difluorocyclohexyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
CID 130275496
ethyl 2-amino-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 130275317
3-acetyl-2-amino-7-methylchromeno[2,3-b]pyridin-5-one
CID 160866226
2-O-ethyl 4-O-methyl 6-cyclohexylquinoline-2,4-dicarboxylate
CID 102222265
2-(3-ethoxycarbonyl-7-ethyl-5-oxochromeno[2,3-b]pyridin-2-yl)acetic acid
CID 70514893
2-amino-7-[(E)-2-cyclohexylethenyl]-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
CID 130275279
ethyl 2-amino-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylate
CID 20563035

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-7-cyclohexyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-amino-7-cyclohexyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate (CID 130275109) is ethyl 2-amino-7-cyclohexyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-7-cyclohexyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-amino-7-cyclohexyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate is CCOC(=O)c1cc2c(=O)c3cc(C4CCCCC4)ccc3oc2nc1N.
What is the InChIKey of ethyl 2-amino-7-cyclohexyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate?
The InChIKey is FWIKQONUBVPBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-2-26-21(25)16-11-15-18(24)14-10-13(12-6-4-3-5-7-12)8-9-17(14)27-20(15)23-19(16)22/h8-12H,2-7H2,1H3,(H2,22,23).
What are the key properties of ethyl 2-amino-7-cyclohexyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate?
ethyl 2-amino-7-cyclohexyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate has a molecular weight of 366.42 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-7-cyclohexyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate is sourced from PubChem (CID 130275109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).