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

C27H28N2O7 — CID 23475142

IUPACmethyl 2-amino-4-(2,3-dimethoxyphenyl)-6-[(2-methoxyphenyl)methyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
SMILESCOC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccc3OC)c(=O)c2C1c1cccc(OC)c1OC
InChIInChI=1S/C27H28N2O7/c1-15-13-20-22(26(30)29(15)14-16-9-6-7-11-18(16)32-2)21(23(25(28)36-20)27(31)35-5)17-10-8-12-19(33-3)24(17)34-4/h6-13,21H,14,28H2,1-5H3
InChIKeyPMUQUCSIBFYTQK-UHFFFAOYSA-N
MW492.53 g/mol
LogP3.10
Rot. Bonds7

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

methyl 2-amino-4-(2,3-dimethoxyphenyl)-6-[(2-methoxyphenyl)methyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate (PubChem CID 23475142) has the molecular formula C27H28N2O7 and a molecular weight of 492.53 g/mol. Its IUPAC name is methyl 2-amino-4-(2,3-dimethoxyphenyl)-6-[(2-methoxyphenyl)methyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-(2,3-dimethoxyphenyl)-6-[(2-methoxyphenyl)methyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
PubChem CID23475142
Molecular FormulaC27H28N2O7
Molecular Weight492.53 g/mol
Exact Mass492.19
IUPAC Namemethyl 2-amino-4-(2,3-dimethoxyphenyl)-6-[(2-methoxyphenyl)methyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
SMILESCOC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccc3OC)c(=O)c2C1c1cccc(OC)c1OC
InChIInChI=1S/C27H28N2O7/c1-15-13-20-22(26(30)29(15)14-16-9-6-7-11-18(16)32-2)21(23(25(28)36-20)27(31)35-5)17-10-8-12-19(33-3)24(17)34-4/h6-13,21H,14,28H2,1-5H3
InChIKeyPMUQUCSIBFYTQK-UHFFFAOYSA-N
XLogP3.10
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.53
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(2,3-dimethoxyphenyl)-6-[(2-methoxyphenyl)methyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The IUPAC name of methyl 2-amino-4-(2,3-dimethoxyphenyl)-6-[(2-methoxyphenyl)methyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate (CID 23475142) is methyl 2-amino-4-(2,3-dimethoxyphenyl)-6-[(2-methoxyphenyl)methyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-amino-4-(2,3-dimethoxyphenyl)-6-[(2-methoxyphenyl)methyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-amino-4-(2,3-dimethoxyphenyl)-6-[(2-methoxyphenyl)methyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate is COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccc3OC)c(=O)c2C1c1cccc(OC)c1OC.
What is the InChIKey of methyl 2-amino-4-(2,3-dimethoxyphenyl)-6-[(2-methoxyphenyl)methyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The InChIKey is PMUQUCSIBFYTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O7/c1-15-13-20-22(26(30)29(15)14-16-9-6-7-11-18(16)32-2)21(23(25(28)36-20)27(31)35-5)17-10-8-12-19(33-3)24(17)34-4/h6-13,21H,14,28H2,1-5H3.
What are the key properties of methyl 2-amino-4-(2,3-dimethoxyphenyl)-6-[(2-methoxyphenyl)methyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate?
methyl 2-amino-4-(2,3-dimethoxyphenyl)-6-[(2-methoxyphenyl)methyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate has a molecular weight of 492.53 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(2,3-dimethoxyphenyl)-6-[(2-methoxyphenyl)methyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate is sourced from PubChem (CID 23475142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).