2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carbonitrile

C16H13N3O2 — CID 622082

IUPAC2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carbonitrile
SMILESCC(C)c1ccc2oc3nc(N)c(C#N)cc3c(=O)c2c1
InChIInChI=1S/C16H13N3O2/c1-8(2)9-3-4-13-11(5-9)14(20)12-6-10(7-17)15(18)19-16(12)21-13/h3-6,8H,1-2H3,(H2,18,19)
InChIKeyZFMOBKNMVOXMMZ-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.92
Rot. Bonds1

About 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carbonitrile

2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carbonitrile (PubChem CID 622082) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carbonitrile
PubChem CID622082
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carbonitrile
SMILESCC(C)c1ccc2oc3nc(N)c(C#N)cc3c(=O)c2c1
InChIInChI=1S/C16H13N3O2/c1-8(2)9-3-4-13-11(5-9)14(20)12-6-10(7-17)15(18)19-16(12)21-13/h3-6,8H,1-2H3,(H2,18,19)
InChIKeyZFMOBKNMVOXMMZ-UHFFFAOYSA-N
XLogP2.92
TPSA92.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(propan-2-yl)-3-(1H-tetrazol-5-yl)-5H-[1]benzopyrano[2,3-b]pyridin-5-one
CID 15571843
2-amino-7-(4,4-difluorocyclohexyl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid
CID 130275496
2-Amino-7-ethyl-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carbonitrile
CID 619587
2-Amino-7,9-dimethyl-5-oxo-5H-(1)benzopyrano(2,3-b)pyridine-3-carbonitrile
CID 703042
2-amino-7-[3-(dimethylamino)propyl]-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid
CID 130293154
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
2-amino-7-[(E)-2-cyclopentylethenyl]-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
CID 130275435
2-Amino-7-(cyclohexen-1-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
CID 130275498

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carbonitrile (CID 622082) is 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carbonitrile is CC(C)c1ccc2oc3nc(N)c(C#N)cc3c(=O)c2c1.
What is the InChIKey of 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carbonitrile?
The InChIKey is ZFMOBKNMVOXMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-8(2)9-3-4-13-11(5-9)14(20)12-6-10(7-17)15(18)19-16(12)21-13/h3-6,8H,1-2H3,(H2,18,19).
What are the key properties of 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carbonitrile?
2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carbonitrile has a molecular weight of 279.30 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 622082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).