2-amino-8-(2-cyclopentylethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid

C20H20N2O4 — CID 130275440

IUPAC2-amino-8-(2-cyclopentylethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
SMILESNc1nc2oc3cc(CCC4CCCC4)ccc3c(=O)c2cc1C(=O)O
InChIInChI=1S/C20H20N2O4/c21-18-15(20(24)25)10-14-17(23)13-8-7-12(6-5-11-3-1-2-4-11)9-16(13)26-19(14)22-18/h7-11H,1-6H2,(H2,21,22)(H,24,25)
InChIKeyDCWQBCJFMTWAMV-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.74
Rot. Bonds4

About 2-amino-8-(2-cyclopentylethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid

2-amino-8-(2-cyclopentylethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid (PubChem CID 130275440) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-amino-8-(2-cyclopentylethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-8-(2-cyclopentylethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
PubChem CID130275440
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name2-amino-8-(2-cyclopentylethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
SMILESNc1nc2oc3cc(CCC4CCCC4)ccc3c(=O)c2cc1C(=O)O
InChIInChI=1S/C20H20N2O4/c21-18-15(20(24)25)10-14-17(23)13-8-7-12(6-5-11-3-1-2-4-11)9-16(13)26-19(14)22-18/h7-11H,1-6H2,(H2,21,22)(H,24,25)
InChIKeyDCWQBCJFMTWAMV-UHFFFAOYSA-N
XLogP3.74
TPSA106.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.74
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-[(E)-2-cyclohexylethenyl]-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
CID 130275279
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
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
ethyl 2-amino-7-cyclohexyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 130275109
7-cyclopentyl-2-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
CID 157459588
3-(2-cyclohexylethyl)-4-oxochromene-2-carboxamide
CID 175851806
2-(cycloheptylmethyl)-1,3-benzoxazole-4-carboxylic acid
CID 114459427
2-[2-(2-cyclohexylethyl)-6-methyl-9-oxoacridin-10-yl]acetic acid
CID 138658095
1,2-dichloro-4-(2-cyclopentylethyl)benzene
CID 67484216
5-(2-cyclohexylethyl)-2-methyl-1H-indole-3-carboxylic acid
CID 22311889

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-(2-cyclopentylethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-8-(2-cyclopentylethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid (CID 130275440) is 2-amino-8-(2-cyclopentylethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-8-(2-cyclopentylethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-8-(2-cyclopentylethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid is Nc1nc2oc3cc(CCC4CCCC4)ccc3c(=O)c2cc1C(=O)O.
What is the InChIKey of 2-amino-8-(2-cyclopentylethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
The InChIKey is DCWQBCJFMTWAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c21-18-15(20(24)25)10-14-17(23)13-8-7-12(6-5-11-3-1-2-4-11)9-16(13)26-19(14)22-18/h7-11H,1-6H2,(H2,21,22)(H,24,25).
What are the key properties of 2-amino-8-(2-cyclopentylethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
2-amino-8-(2-cyclopentylethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid has a molecular weight of 352.39 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-(2-cyclopentylethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 130275440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).