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

C23H26N2O6 — CID 666516

IUPACmethyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate
SMILESCOC(=O)C1=C(N)Oc2cc(C)n(CC3CCCO3)c(=O)c2C1c1ccccc1OC
InChIInChI=1S/C23H26N2O6/c1-13-11-17-19(22(26)25(13)12-14-7-6-10-30-14)18(15-8-4-5-9-16(15)28-2)20(21(24)31-17)23(27)29-3/h4-5,8-9,11,14,18H,6-7,10,12,24H2,1-3H3
InChIKeyDCBSQNRTTIRNJD-UHFFFAOYSA-N
MW426.47 g/mol
LogP2.21
Rot. Bonds5

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

methyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate (PubChem CID 666516) has the molecular formula C23H26N2O6 and a molecular weight of 426.47 g/mol. Its IUPAC name is methyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate
PubChem CID666516
Molecular FormulaC23H26N2O6
Molecular Weight426.47 g/mol
Exact Mass426.18
IUPAC Namemethyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate
SMILESCOC(=O)C1=C(N)Oc2cc(C)n(CC3CCCO3)c(=O)c2C1c1ccccc1OC
InChIInChI=1S/C23H26N2O6/c1-13-11-17-19(22(26)25(13)12-14-7-6-10-30-14)18(15-8-4-5-9-16(15)28-2)20(21(24)31-17)23(27)29-3/h4-5,8-9,11,14,18H,6-7,10,12,24H2,1-3H3
InChIKeyDCBSQNRTTIRNJD-UHFFFAOYSA-N
XLogP2.21
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The IUPAC name of methyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate (CID 666516) is methyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate is COC(=O)C1=C(N)Oc2cc(C)n(CC3CCCO3)c(=O)c2C1c1ccccc1OC.
What is the InChIKey of methyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The InChIKey is DCBSQNRTTIRNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O6/c1-13-11-17-19(22(26)25(13)12-14-7-6-10-30-14)18(15-8-4-5-9-16(15)28-2)20(21(24)31-17)23(27)29-3/h4-5,8-9,11,14,18H,6-7,10,12,24H2,1-3H3.
What are the key properties of methyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate?
methyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate has a molecular weight of 426.47 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate is sourced from PubChem (CID 666516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).