2-amino-7-(4-hydroxycyclohexyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid

C19H18N2O5 — CID 130275503

IUPAC2-amino-7-(4-hydroxycyclohexyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
SMILESNc1nc2oc3ccc(C4CCC(O)CC4)cc3c(=O)c2cc1C(=O)O
InChIInChI=1S/C19H18N2O5/c20-17-14(19(24)25)8-13-16(23)12-7-10(9-1-4-11(22)5-2-9)3-6-15(12)26-18(13)21-17/h3,6-9,11,22H,1-2,4-5H2,(H2,20,21)(H,24,25)
InChIKeyMNBUVQJXQYKUPN-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.64
Rot. Bonds2

About 2-amino-7-(4-hydroxycyclohexyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid

2-amino-7-(4-hydroxycyclohexyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid (PubChem CID 130275503) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 2-amino-7-(4-hydroxycyclohexyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-7-(4-hydroxycyclohexyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
PubChem CID130275503
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name2-amino-7-(4-hydroxycyclohexyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
SMILESNc1nc2oc3ccc(C4CCC(O)CC4)cc3c(=O)c2cc1C(=O)O
InChIInChI=1S/C19H18N2O5/c20-17-14(19(24)25)8-13-16(23)12-7-10(9-1-4-11(22)5-2-9)3-6-15(12)26-18(13)21-17/h3,6-9,11,22H,1-2,4-5H2,(H2,20,21)(H,24,25)
InChIKeyMNBUVQJXQYKUPN-UHFFFAOYSA-N
XLogP2.64
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Amlexanox
CID 2161
2-amino-7-(4,4-difluorocyclohexyl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid
CID 130275496
2-Amino-7-(1,1-dioxothian-4-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
CID 130276782
2-Amino-7-ethyl-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carbonitrile
CID 619587
2-Amino-7-isopropyl-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carbonitrile
CID 622082
2-amino-7-[3-(dimethylamino)propyl]-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid
CID 130293154
2-Amino-7-(dimethylamino)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
CID 12852146
2-Amino-5-oxo-7-(thian-4-yl)chromeno[2,3-b]pyridine-3-carboxylic acid
CID 130275075
2-Amino-7-isobutyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid
CID 130275108
2-Amino-8-isopropyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid
CID 130275116
2-Amino-7-(2-cyclopropylethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
CID 130275327
2-Amino-5-oxo-7-(4-oxocyclohexyl)chromeno[2,3-b]pyridine-3-carboxylic acid
CID 130275332

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(4-hydroxycyclohexyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-7-(4-hydroxycyclohexyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid (CID 130275503) is 2-amino-7-(4-hydroxycyclohexyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-7-(4-hydroxycyclohexyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-7-(4-hydroxycyclohexyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid is Nc1nc2oc3ccc(C4CCC(O)CC4)cc3c(=O)c2cc1C(=O)O.
What is the InChIKey of 2-amino-7-(4-hydroxycyclohexyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
The InChIKey is MNBUVQJXQYKUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c20-17-14(19(24)25)8-13-16(23)12-7-10(9-1-4-11(22)5-2-9)3-6-15(12)26-18(13)21-17/h3,6-9,11,22H,1-2,4-5H2,(H2,20,21)(H,24,25).
What are the key properties of 2-amino-7-(4-hydroxycyclohexyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
2-amino-7-(4-hydroxycyclohexyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid has a molecular weight of 354.36 g/mol, XLogP of 2.64, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(4-hydroxycyclohexyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 130275503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).