methyl 2-amino-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4-phenyl-4H-pyrano[3,2-c]pyridine-3-carboxylate

C22H24N2O5 — CID 666370

IUPACmethyl 2-amino-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4-phenyl-4H-pyrano[3,2-c]pyridine-3-carboxylate
SMILESCOC(=O)C1=C(N)Oc2cc(C)n(CC3CCCO3)c(=O)c2C1c1ccccc1
InChIInChI=1S/C22H24N2O5/c1-13-11-16-18(21(25)24(13)12-15-9-6-10-28-15)17(14-7-4-3-5-8-14)19(20(23)29-16)22(26)27-2/h3-5,7-8,11,15,17H,6,9-10,12,23H2,1-2H3
InChIKeyINBWTBIGTMJKEJ-UHFFFAOYSA-N
MW396.44 g/mol
LogP2.20
Rot. Bonds4

About methyl 2-amino-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4-phenyl-4H-pyrano[3,2-c]pyridine-3-carboxylate

methyl 2-amino-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4-phenyl-4H-pyrano[3,2-c]pyridine-3-carboxylate (PubChem CID 666370) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is methyl 2-amino-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4-phenyl-4H-pyrano[3,2-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4-phenyl-4H-pyrano[3,2-c]pyridine-3-carboxylate
PubChem CID666370
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Namemethyl 2-amino-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4-phenyl-4H-pyrano[3,2-c]pyridine-3-carboxylate
SMILESCOC(=O)C1=C(N)Oc2cc(C)n(CC3CCCO3)c(=O)c2C1c1ccccc1
InChIInChI=1S/C22H24N2O5/c1-13-11-16-18(21(25)24(13)12-15-9-6-10-28-15)17(14-7-4-3-5-8-14)19(20(23)29-16)22(26)27-2/h3-5,7-8,11,15,17H,6,9-10,12,23H2,1-2H3
InChIKeyINBWTBIGTMJKEJ-UHFFFAOYSA-N
XLogP2.20
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-amino-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4-phenyl-4H-pyrano[3,2-c]pyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4-phenyl-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The IUPAC name of methyl 2-amino-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4-phenyl-4H-pyrano[3,2-c]pyridine-3-carboxylate (CID 666370) is methyl 2-amino-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4-phenyl-4H-pyrano[3,2-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-amino-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4-phenyl-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-amino-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4-phenyl-4H-pyrano[3,2-c]pyridine-3-carboxylate is COC(=O)C1=C(N)Oc2cc(C)n(CC3CCCO3)c(=O)c2C1c1ccccc1.
What is the InChIKey of methyl 2-amino-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4-phenyl-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The InChIKey is INBWTBIGTMJKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-13-11-16-18(21(25)24(13)12-15-9-6-10-28-15)17(14-7-4-3-5-8-14)19(20(23)29-16)22(26)27-2/h3-5,7-8,11,15,17H,6,9-10,12,23H2,1-2H3.
What are the key properties of methyl 2-amino-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4-phenyl-4H-pyrano[3,2-c]pyridine-3-carboxylate?
methyl 2-amino-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4-phenyl-4H-pyrano[3,2-c]pyridine-3-carboxylate has a molecular weight of 396.44 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4-phenyl-4H-pyrano[3,2-c]pyridine-3-carboxylate is sourced from PubChem (CID 666370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).