2-amino-7-[(E)-2-cyclohexylethenyl]-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid

C21H20N2O4 — CID 130275279

IUPAC2-amino-7-[(E)-2-cyclohexylethenyl]-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
SMILESNc1nc2oc3ccc(/C=C/C4CCCCC4)cc3c(=O)c2cc1C(=O)O
InChIInChI=1S/C21H20N2O4/c22-19-16(21(25)26)11-15-18(24)14-10-13(7-6-12-4-2-1-3-5-12)8-9-17(14)27-20(15)23-19/h6-12H,1-5H2,(H2,22,23)(H,25,26)/b7-6+
InChIKeyMIFSMGYHBAGPNQ-VOTSOKGWSA-N
MW364.40 g/mol
LogP4.22
Rot. Bonds3

About 2-amino-7-[(E)-2-cyclohexylethenyl]-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid

2-amino-7-[(E)-2-cyclohexylethenyl]-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid (PubChem CID 130275279) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-amino-7-[(E)-2-cyclohexylethenyl]-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-7-[(E)-2-cyclohexylethenyl]-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
PubChem CID130275279
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name2-amino-7-[(E)-2-cyclohexylethenyl]-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
SMILESNc1nc2oc3ccc(/C=C/C4CCCCC4)cc3c(=O)c2cc1C(=O)O
InChIInChI=1S/C21H20N2O4/c22-19-16(21(25)26)11-15-18(24)14-10-13(7-6-12-4-2-1-3-5-12)8-9-17(14)27-20(15)23-19/h6-12H,1-5H2,(H2,22,23)(H,25,26)/b7-6+
InChIKeyMIFSMGYHBAGPNQ-VOTSOKGWSA-N
XLogP4.22
TPSA106.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
azanium 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid
CID 101282936
2-amino-7-(4,4-difluorocyclohexyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
CID 130275496
5-amino-12-cyclobutyl-9-oxo-2-oxa-4,11-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3,5,7,11,13-hexaene-6-carboxylic acid
CID 130276965
2-amino-8-(2-cyclopentylethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
CID 130275440
ethyl 2-amino-7-cyclohexyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 130275109
3-acetyl-2-amino-7-methylchromeno[2,3-b]pyridin-5-one
CID 160866226
5-amino-12-(oxetan-3-yl)-9-oxo-2-oxa-4,13-diazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-6-carboxylic acid
CID 130276748
7-cyclopentyl-2-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
CID 157459588
7-chloro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
CID 3780301
ethyl 2-amino-7-bromo-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 12540577

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[(E)-2-cyclohexylethenyl]-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-7-[(E)-2-cyclohexylethenyl]-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid (CID 130275279) is 2-amino-7-[(E)-2-cyclohexylethenyl]-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-7-[(E)-2-cyclohexylethenyl]-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-7-[(E)-2-cyclohexylethenyl]-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid is Nc1nc2oc3ccc(/C=C/C4CCCCC4)cc3c(=O)c2cc1C(=O)O.
What is the InChIKey of 2-amino-7-[(E)-2-cyclohexylethenyl]-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
The InChIKey is MIFSMGYHBAGPNQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C21H20N2O4/c22-19-16(21(25)26)11-15-18(24)14-10-13(7-6-12-4-2-1-3-5-12)8-9-17(14)27-20(15)23-19/h6-12H,1-5H2,(H2,22,23)(H,25,26)/b7-6+.
What are the key properties of 2-amino-7-[(E)-2-cyclohexylethenyl]-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
2-amino-7-[(E)-2-cyclohexylethenyl]-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid has a molecular weight of 364.40 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[(E)-2-cyclohexylethenyl]-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 130275279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).