trimethylsilyl 5-oxo-7-propan-2-yl-2-(trimethylsilylamino)chromeno[2,3-b]pyridine-3-carboxylate

C22H30N2O4Si2 — CID 91745178

IUPACtrimethylsilyl 5-oxo-7-propan-2-yl-2-(trimethylsilylamino)chromeno[2,3-b]pyridine-3-carboxylate
SMILESCC(C)c1ccc2oc3nc(N[Si](C)(C)C)c(C(=O)O[Si](C)(C)C)cc3c(=O)c2c1
InChIInChI=1S/C22H30N2O4Si2/c1-13(2)14-9-10-18-15(11-14)19(25)16-12-17(22(26)28-30(6,7)8)20(23-21(16)27-18)24-29(3,4)5/h9-13H,1-8H3,(H,23,24)
InChIKeyAKPWYGCIBJTNOU-UHFFFAOYSA-N
MW442.66 g/mol
LogP5.70
Rot. Bonds5

About trimethylsilyl 5-oxo-7-propan-2-yl-2-(trimethylsilylamino)chromeno[2,3-b]pyridine-3-carboxylate

trimethylsilyl 5-oxo-7-propan-2-yl-2-(trimethylsilylamino)chromeno[2,3-b]pyridine-3-carboxylate (PubChem CID 91745178) has the molecular formula C22H30N2O4Si2 and a molecular weight of 442.66 g/mol. Its IUPAC name is trimethylsilyl 5-oxo-7-propan-2-yl-2-(trimethylsilylamino)chromeno[2,3-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nametrimethylsilyl 5-oxo-7-propan-2-yl-2-(trimethylsilylamino)chromeno[2,3-b]pyridine-3-carboxylate
PubChem CID91745178
Molecular FormulaC22H30N2O4Si2
Molecular Weight442.66 g/mol
Exact Mass442.17
IUPAC Nametrimethylsilyl 5-oxo-7-propan-2-yl-2-(trimethylsilylamino)chromeno[2,3-b]pyridine-3-carboxylate
SMILESCC(C)c1ccc2oc3nc(N[Si](C)(C)C)c(C(=O)O[Si](C)(C)C)cc3c(=O)c2c1
InChIInChI=1S/C22H30N2O4Si2/c1-13(2)14-9-10-18-15(11-14)19(25)16-12-17(22(26)28-30(6,7)8)20(23-21(16)27-18)24-29(3,4)5/h9-13H,1-8H3,(H,23,24)
InChIKeyAKPWYGCIBJTNOU-UHFFFAOYSA-N
XLogP5.70
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.66
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze trimethylsilyl 5-oxo-7-propan-2-yl-2-(trimethylsilylamino)chromeno[2,3-b]pyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylate
CID 118896349
2-(3-methoxycarbonyl-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridin-2-yl)acetic acid
CID 70513059
azanium 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid
CID 101282936
2-(ethylamino)-3-nitro-7-propan-2-ylchromeno[2,3-b]pyridin-5-one
CID 164670561
2-(butylamino)-3-nitro-7-propan-2-ylchromeno[2,3-b]pyridin-5-one
CID 164670559
2-(benzylamino)-3-nitro-7-propan-2-ylchromeno[2,3-b]pyridin-5-one
CID 164670563
ethyl 2-amino-7-bromo-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 12540577
methyl 7-chloro-2-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 3797554
propan-2-yl 7-chloro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 7747297
ethyl 2-amino-7-cyclohexyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 130275109
ethyl 2-amino-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylate
CID 20563035
2-(7-methoxy-3-methoxycarbonyl-5-oxochromeno[2,3-b]pyridin-2-yl)acetic acid
CID 70514076

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 5-oxo-7-propan-2-yl-2-(trimethylsilylamino)chromeno[2,3-b]pyridine-3-carboxylate?
The IUPAC name of trimethylsilyl 5-oxo-7-propan-2-yl-2-(trimethylsilylamino)chromeno[2,3-b]pyridine-3-carboxylate (CID 91745178) is trimethylsilyl 5-oxo-7-propan-2-yl-2-(trimethylsilylamino)chromeno[2,3-b]pyridine-3-carboxylate.
What is the SMILES notation for trimethylsilyl 5-oxo-7-propan-2-yl-2-(trimethylsilylamino)chromeno[2,3-b]pyridine-3-carboxylate?
The canonical SMILES for trimethylsilyl 5-oxo-7-propan-2-yl-2-(trimethylsilylamino)chromeno[2,3-b]pyridine-3-carboxylate is CC(C)c1ccc2oc3nc(N[Si](C)(C)C)c(C(=O)O[Si](C)(C)C)cc3c(=O)c2c1.
What is the InChIKey of trimethylsilyl 5-oxo-7-propan-2-yl-2-(trimethylsilylamino)chromeno[2,3-b]pyridine-3-carboxylate?
The InChIKey is AKPWYGCIBJTNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4Si2/c1-13(2)14-9-10-18-15(11-14)19(25)16-12-17(22(26)28-30(6,7)8)20(23-21(16)27-18)24-29(3,4)5/h9-13H,1-8H3,(H,23,24).
What are the key properties of trimethylsilyl 5-oxo-7-propan-2-yl-2-(trimethylsilylamino)chromeno[2,3-b]pyridine-3-carboxylate?
trimethylsilyl 5-oxo-7-propan-2-yl-2-(trimethylsilylamino)chromeno[2,3-b]pyridine-3-carboxylate has a molecular weight of 442.66 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 5-oxo-7-propan-2-yl-2-(trimethylsilylamino)chromeno[2,3-b]pyridine-3-carboxylate is sourced from PubChem (CID 91745178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).