azanium 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid

C16H18N3O4+ — CID 101282936

IUPACazanium 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid
SMILESCC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1.[NH4+]
InChIInChI=1S/C16H14N2O4.H3N/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12;/h3-7H,1-2H3,(H2,17,18)(H,20,21);1H3/p+1
InChIKeyWUWJNZNLUDZECC-UHFFFAOYSA-O
MW316.34 g/mol
LogP3.12
Rot. Bonds2

About azanium 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid

azanium 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid (PubChem CID 101282936) has the molecular formula C16H18N3O4+ and a molecular weight of 316.34 g/mol. Its IUPAC name is azanium 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Nameazanium 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid
PubChem CID101282936
Molecular FormulaC16H18N3O4+
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC Nameazanium 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid
SMILESCC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1.[NH4+]
InChIInChI=1S/C16H14N2O4.H3N/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12;/h3-7H,1-2H3,(H2,17,18)(H,20,21);1H3/p+1
InChIKeyWUWJNZNLUDZECC-UHFFFAOYSA-O
XLogP3.12
TPSA142.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 53.12
H-Bond Donors ≤ 53
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-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid
CID 54097828
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
2-(3-methoxycarbonyl-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridin-2-yl)acetic acid
CID 70513059
3-acetyl-2-amino-7-methylchromeno[2,3-b]pyridin-5-one
CID 160866226
trimethylsilyl 5-oxo-7-propan-2-yl-2-(trimethylsilylamino)chromeno[2,3-b]pyridine-3-carboxylate
CID 91745178
2-amino-7-[(E)-2-cyclohexylethenyl]-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
CID 130275279
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylate
CID 118896349
4-oxo-6-propan-2-ylchromene-2-carboxylic acid
CID 57348583
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 azanium 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid?
The IUPAC name of azanium 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid (CID 101282936) is azanium 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for azanium 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for azanium 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid is CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1.[NH4+].
What is the InChIKey of azanium 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid?
The InChIKey is WUWJNZNLUDZECC-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H14N2O4.H3N/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12;/h3-7H,1-2H3,(H2,17,18)(H,20,21);1H3/p+1.
What are the key properties of azanium 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid?
azanium 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid has a molecular weight of 316.34 g/mol, XLogP of 3.12, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 101282936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).