methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylate

C22H24N2O6 — CID 118896349

IUPACmethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylate
SMILESCOC(=O)c1cc2c(=O)c3cc(C(C)C)ccc3oc2nc1NC(=O)OC(C)(C)C
InChIInChI=1S/C22H24N2O6/c1-11(2)12-7-8-16-13(9-12)17(25)14-10-15(20(26)28-6)18(23-19(14)29-16)24-21(27)30-22(3,4)5/h7-11H,1-6H3,(H,23,24,27)
InChIKeyHHOARZUCPUAAGB-UHFFFAOYSA-N
MW412.44 g/mol
LogP4.60
Rot. Bonds3

About methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylate

methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylate (PubChem CID 118896349) has the molecular formula C22H24N2O6 and a molecular weight of 412.44 g/mol. Its IUPAC name is methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylate
PubChem CID118896349
Molecular FormulaC22H24N2O6
Molecular Weight412.44 g/mol
Exact Mass412.16
IUPAC Namemethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylate
SMILESCOC(=O)c1cc2c(=O)c3cc(C(C)C)ccc3oc2nc1NC(=O)OC(C)(C)C
InChIInChI=1S/C22H24N2O6/c1-11(2)12-7-8-16-13(9-12)17(25)14-10-15(20(26)28-6)18(23-19(14)29-16)24-21(27)30-22(3,4)5/h7-11H,1-6H3,(H,23,24,27)
InChIKeyHHOARZUCPUAAGB-UHFFFAOYSA-N
XLogP4.60
TPSA107.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

trimethylsilyl 5-oxo-7-propan-2-yl-2-(trimethylsilylamino)chromeno[2,3-b]pyridine-3-carboxylate
CID 91745178
2-(3-methoxycarbonyl-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridin-2-yl)acetic acid
CID 70513059
2-(butylamino)-3-nitro-7-propan-2-ylchromeno[2,3-b]pyridin-5-one
CID 164670559
methyl 6-(2-fluoropropan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 176943347
methyl 2-(methoxymethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 1475272
ethyl 2-amino-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylate
CID 20563035
tert-butyl N-(4-propan-2-ylphenyl)carbamate
CID 10868278
ethyl 2-amino-7-bromo-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 12540577
ethyl 2-amino-7-cyclohexyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 130275109
tetramethyl 10-(tert-butylamino)-11-oxo-2-propan-2-yl-9H-cyclohepta[b]chromene-6,7,8,9-tetracarboxylate
CID 139223896
2-amino-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylic acid
CID 54097828
3-acetyl-2-amino-7-methylchromeno[2,3-b]pyridin-5-one
CID 160866226

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylate (CID 118896349) is methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylate is COC(=O)c1cc2c(=O)c3cc(C(C)C)ccc3oc2nc1NC(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylate?
The InChIKey is HHOARZUCPUAAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O6/c1-11(2)12-7-8-16-13(9-12)17(25)14-10-15(20(26)28-6)18(23-19(14)29-16)24-21(27)30-22(3,4)5/h7-11H,1-6H3,(H,23,24,27).
What are the key properties of methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylate?
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylate has a molecular weight of 412.44 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylate is sourced from PubChem (CID 118896349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).