2-amino-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid

C16H14N2O4 — CID 54097828

IUPAC2-amino-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid
SMILESCC(C)c1ccc2oc3cc(C(=O)O)c(N)nc3c(=O)c2c1
InChIInChI=1S/C16H14N2O4/c1-7(2)8-3-4-11-9(5-8)14(19)13-12(22-11)6-10(16(20)21)15(17)18-13/h3-7H,1-2H3,(H2,17,18)(H,20,21)
InChIKeyMYKBXBGGMZJMFZ-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.74
Rot. Bonds2

About 2-amino-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid

2-amino-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid (PubChem CID 54097828) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-amino-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid
PubChem CID54097828
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name2-amino-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid
SMILESCC(C)c1ccc2oc3cc(C(=O)O)c(N)nc3c(=O)c2c1
InChIInChI=1S/C16H14N2O4/c1-7(2)8-3-4-11-9(5-8)14(19)13-12(22-11)6-10(16(20)21)15(17)18-13/h3-7H,1-2H3,(H2,17,18)(H,20,21)
InChIKeyMYKBXBGGMZJMFZ-UHFFFAOYSA-N
XLogP2.74
TPSA106.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.74
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

ethyl 2-amino-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylate
CID 20563035
azanium 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid
CID 101282936
sodium 2-[hydroxy(methyl)amino]-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylate
CID 88772713
4-oxo-6-propan-2-ylchromene-2-carboxylic acid
CID 57348583
2-chloro-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carbonitrile
CID 20561053
8-chloro-2-(methoxyamino)-10-oxochromeno[3,2-b]pyridine-3-carboxylic acid
CID 20561041
2-bromo-6-propan-2-ylquinoline-4-carboxylic acid
CID 82184206
6,16-di(propan-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
CID 118149873
2-(3-methoxycarbonyl-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridin-2-yl)acetic acid
CID 70513059
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-7-(4,4-difluorocyclohexyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
CID 130275496
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-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid (CID 54097828) is 2-amino-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid is CC(C)c1ccc2oc3cc(C(=O)O)c(N)nc3c(=O)c2c1.
What is the InChIKey of 2-amino-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid?
The InChIKey is MYKBXBGGMZJMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-7(2)8-3-4-11-9(5-8)14(19)13-12(22-11)6-10(16(20)21)15(17)18-13/h3-7H,1-2H3,(H2,17,18)(H,20,21).
What are the key properties of 2-amino-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid?
2-amino-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid has a molecular weight of 298.30 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 54097828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).