methyl 2,2-dimethyl-5-(phenylmethoxycarbonylamino)-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate

C19H20N2O6 — CID 58360340

IUPACmethyl 2,2-dimethyl-5-(phenylmethoxycarbonylamino)-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate
SMILESCOC(=O)c1ncc(NC(=O)OCc2ccccc2)c2c1OC(C)(C)OC2
InChIInChI=1S/C19H20N2O6/c1-19(2)26-11-13-14(9-20-15(16(13)27-19)17(22)24-3)21-18(23)25-10-12-7-5-4-6-8-12/h4-9H,10-11H2,1-3H3,(H,21,23)
InChIKeyURLHVPBCFMDKLW-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.26
Rot. Bonds4

About methyl 2,2-dimethyl-5-(phenylmethoxycarbonylamino)-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate

methyl 2,2-dimethyl-5-(phenylmethoxycarbonylamino)-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate (PubChem CID 58360340) has the molecular formula C19H20N2O6 and a molecular weight of 372.38 g/mol. Its IUPAC name is methyl 2,2-dimethyl-5-(phenylmethoxycarbonylamino)-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-5-(phenylmethoxycarbonylamino)-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate
PubChem CID58360340
Molecular FormulaC19H20N2O6
Molecular Weight372.38 g/mol
Exact Mass372.13
IUPAC Namemethyl 2,2-dimethyl-5-(phenylmethoxycarbonylamino)-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate
SMILESCOC(=O)c1ncc(NC(=O)OCc2ccccc2)c2c1OC(C)(C)OC2
InChIInChI=1S/C19H20N2O6/c1-19(2)26-11-13-14(9-20-15(16(13)27-19)17(22)24-3)21-18(23)25-10-12-7-5-4-6-8-12/h4-9H,10-11H2,1-3H3,(H,21,23)
InChIKeyURLHVPBCFMDKLW-UHFFFAOYSA-N
XLogP3.26
TPSA95.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2,2-dimethyl-5-(phenylmethoxycarbonylamino)-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate with MolForge

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Related Compounds

benzyl N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-methyl-4-pyridinyl]carbamate
CID 171613853
methyl 1-phenyl-4-(phenylmethoxycarbonylamino)pyrazole-3-carboxylate
CID 176705772
methyl 3-amino-4-(phenylmethoxycarbonylamino)benzoate
CID 146261827
benzyl N-[2-(2,2-dimethyl-1,3-dioxol-4-yl)-5-fluoro-4-pyridinyl]carbamate
CID 171478557
benzyl N-(2-methyl-6-oxo-1H-pyrimidin-5-yl)carbamate
CID 11161253
benzyl N-(2-methyl-3-pyridinyl)carbamate
CID 10514300
benzyl N-(3-methyl-4-pyridinyl)carbamate
CID 130580947
methyl 2-[(4-phenylphenyl)methoxycarbonylamino]benzoate
CID 69296077
[2-(4-methylphenyl)-6-oxo-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl] acetate
CID 151530111
benzyl N-[2-(1-aminocyclopropyl)phenyl]carbamate
CID 141316548
methyl 5-(phenylmethoxycarbonylamino)-6-(trifluoromethyl)pyridine-2-carboxylate
CID 164543105
benzyl N-(2-tert-butyl-5-methoxy-4-pyridinyl)carbamate
CID 91489110

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-5-(phenylmethoxycarbonylamino)-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate?
The IUPAC name of methyl 2,2-dimethyl-5-(phenylmethoxycarbonylamino)-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate (CID 58360340) is methyl 2,2-dimethyl-5-(phenylmethoxycarbonylamino)-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate.
What is the SMILES notation for methyl 2,2-dimethyl-5-(phenylmethoxycarbonylamino)-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate?
The canonical SMILES for methyl 2,2-dimethyl-5-(phenylmethoxycarbonylamino)-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate is COC(=O)c1ncc(NC(=O)OCc2ccccc2)c2c1OC(C)(C)OC2.
What is the InChIKey of methyl 2,2-dimethyl-5-(phenylmethoxycarbonylamino)-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate?
The InChIKey is URLHVPBCFMDKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6/c1-19(2)26-11-13-14(9-20-15(16(13)27-19)17(22)24-3)21-18(23)25-10-12-7-5-4-6-8-12/h4-9H,10-11H2,1-3H3,(H,21,23).
What are the key properties of methyl 2,2-dimethyl-5-(phenylmethoxycarbonylamino)-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate?
methyl 2,2-dimethyl-5-(phenylmethoxycarbonylamino)-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate has a molecular weight of 372.38 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-5-(phenylmethoxycarbonylamino)-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate is sourced from PubChem (CID 58360340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).