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

C18H19N3O4 — CID 130293154

IUPAC2-amino-7-[3-(dimethylamino)propyl]-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
SMILESCN(C)CCCc1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1
InChIInChI=1S/C18H19N3O4/c1-21(2)7-3-4-10-5-6-14-11(8-10)15(22)12-9-13(18(23)24)16(19)20-17(12)25-14/h5-6,8-9H,3-4,7H2,1-2H3,(H2,19,20)(H,23,24)
InChIKeyUFHZMIKXSGTKFX-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.12
Rot. Bonds5

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

2-amino-7-[3-(dimethylamino)propyl]-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid (PubChem CID 130293154) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-amino-7-[3-(dimethylamino)propyl]-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-7-[3-(dimethylamino)propyl]-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
PubChem CID130293154
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name2-amino-7-[3-(dimethylamino)propyl]-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
SMILESCN(C)CCCc1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1
InChIInChI=1S/C18H19N3O4/c1-21(2)7-3-4-10-5-6-14-11(8-10)15(22)12-9-13(18(23)24)16(19)20-17(12)25-14/h5-6,8-9H,3-4,7H2,1-2H3,(H2,19,20)(H,23,24)
InChIKeyUFHZMIKXSGTKFX-UHFFFAOYSA-N
XLogP2.12
TPSA109.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[3-(dimethylamino)propyl]-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-7-[3-(dimethylamino)propyl]-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid (CID 130293154) is 2-amino-7-[3-(dimethylamino)propyl]-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-7-[3-(dimethylamino)propyl]-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-7-[3-(dimethylamino)propyl]-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid is CN(C)CCCc1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1.
What is the InChIKey of 2-amino-7-[3-(dimethylamino)propyl]-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
The InChIKey is UFHZMIKXSGTKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-21(2)7-3-4-10-5-6-14-11(8-10)15(22)12-9-13(18(23)24)16(19)20-17(12)25-14/h5-6,8-9H,3-4,7H2,1-2H3,(H2,19,20)(H,23,24).
What are the key properties of 2-amino-7-[3-(dimethylamino)propyl]-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
2-amino-7-[3-(dimethylamino)propyl]-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid has a molecular weight of 341.37 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[3-(dimethylamino)propyl]-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 130293154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).