methyl 2-amino-6-benzyl-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyridine-3-carboxylate

C24H22N2O4 — CID 2754042

IUPACmethyl 2-amino-6-benzyl-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyridine-3-carboxylate
SMILESCOC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c2C1c1ccccc1
InChIInChI=1S/C24H22N2O4/c1-15-13-18-20(23(27)26(15)14-16-9-5-3-6-10-16)19(17-11-7-4-8-12-17)21(22(25)30-18)24(28)29-2/h3-13,19H,14,25H2,1-2H3
InChIKeyZZNOEOUCXIXKRZ-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.07
Rot. Bonds4

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

methyl 2-amino-6-benzyl-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyridine-3-carboxylate (PubChem CID 2754042) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is methyl 2-amino-6-benzyl-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-6-benzyl-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyridine-3-carboxylate
PubChem CID2754042
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Namemethyl 2-amino-6-benzyl-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyridine-3-carboxylate
SMILESCOC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c2C1c1ccccc1
InChIInChI=1S/C24H22N2O4/c1-15-13-18-20(23(27)26(15)14-16-9-5-3-6-10-16)19(17-11-7-4-8-12-17)21(22(25)30-18)24(28)29-2/h3-13,19H,14,25H2,1-2H3
InChIKeyZZNOEOUCXIXKRZ-UHFFFAOYSA-N
XLogP3.07
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-benzyl-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The IUPAC name of methyl 2-amino-6-benzyl-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyridine-3-carboxylate (CID 2754042) is methyl 2-amino-6-benzyl-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-amino-6-benzyl-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-amino-6-benzyl-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyridine-3-carboxylate is COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c2C1c1ccccc1.
What is the InChIKey of methyl 2-amino-6-benzyl-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The InChIKey is ZZNOEOUCXIXKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-15-13-18-20(23(27)26(15)14-16-9-5-3-6-10-16)19(17-11-7-4-8-12-17)21(22(25)30-18)24(28)29-2/h3-13,19H,14,25H2,1-2H3.
What are the key properties of methyl 2-amino-6-benzyl-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyridine-3-carboxylate?
methyl 2-amino-6-benzyl-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyridine-3-carboxylate has a molecular weight of 402.45 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-benzyl-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyridine-3-carboxylate is sourced from PubChem (CID 2754042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).