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

C24H23N3O5 — CID 661893

IUPACmethyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate
SMILESCOC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2C1c1ccccc1OC
InChIInChI=1S/C24H23N3O5/c1-14-11-18-20(23(28)27(14)13-15-7-6-10-26-12-15)19(16-8-4-5-9-17(16)30-2)21(22(25)32-18)24(29)31-3/h4-12,19H,13,25H2,1-3H3
InChIKeySAFPDBRESLLUKB-UHFFFAOYSA-N
MW433.46 g/mol
LogP2.48
Rot. Bonds5

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

methyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate (PubChem CID 661893) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is methyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate
PubChem CID661893
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC Namemethyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate
SMILESCOC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2C1c1ccccc1OC
InChIInChI=1S/C24H23N3O5/c1-14-11-18-20(23(28)27(14)13-15-7-6-10-26-12-15)19(16-8-4-5-9-17(16)30-2)21(22(25)32-18)24(29)31-3/h4-12,19H,13,25H2,1-3H3
InChIKeySAFPDBRESLLUKB-UHFFFAOYSA-N
XLogP2.48
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 52.48
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-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The IUPAC name of methyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate (CID 661893) is methyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-6-(pyridin-3-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-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate is COC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2C1c1ccccc1OC.
What is the InChIKey of methyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The InChIKey is SAFPDBRESLLUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5/c1-14-11-18-20(23(28)27(14)13-15-7-6-10-26-12-15)19(16-8-4-5-9-17(16)30-2)21(22(25)32-18)24(29)31-3/h4-12,19H,13,25H2,1-3H3.
What are the key properties of methyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate?
methyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate has a molecular weight of 433.46 g/mol, XLogP of 2.48, 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-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate is sourced from PubChem (CID 661893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).