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

C20H22N2O4 — CID 23475778

IUPACmethyl 2-amino-6-methyl-5-oxo-4-phenyl-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate
SMILESCCCc1cc2c(c(=O)n1C)C(c1ccccc1)C(C(=O)OC)=C(N)O2
InChIInChI=1S/C20H22N2O4/c1-4-8-13-11-14-16(19(23)22(13)2)15(12-9-6-5-7-10-12)17(18(21)26-14)20(24)25-3/h5-7,9-11,15H,4,8,21H2,1-3H3
InChIKeyRGEUWBOXQJLCHY-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.21
Rot. Bonds4

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

methyl 2-amino-6-methyl-5-oxo-4-phenyl-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate (PubChem CID 23475778) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is methyl 2-amino-6-methyl-5-oxo-4-phenyl-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-6-methyl-5-oxo-4-phenyl-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate
PubChem CID23475778
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Namemethyl 2-amino-6-methyl-5-oxo-4-phenyl-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate
SMILESCCCc1cc2c(c(=O)n1C)C(c1ccccc1)C(C(=O)OC)=C(N)O2
InChIInChI=1S/C20H22N2O4/c1-4-8-13-11-14-16(19(23)22(13)2)15(12-9-6-5-7-10-12)17(18(21)26-14)20(24)25-3/h5-7,9-11,15H,4,8,21H2,1-3H3
InChIKeyRGEUWBOXQJLCHY-UHFFFAOYSA-N
XLogP2.21
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.21
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-methyl-5-oxo-4-phenyl-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The IUPAC name of methyl 2-amino-6-methyl-5-oxo-4-phenyl-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate (CID 23475778) is methyl 2-amino-6-methyl-5-oxo-4-phenyl-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-amino-6-methyl-5-oxo-4-phenyl-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-amino-6-methyl-5-oxo-4-phenyl-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate is CCCc1cc2c(c(=O)n1C)C(c1ccccc1)C(C(=O)OC)=C(N)O2.
What is the InChIKey of methyl 2-amino-6-methyl-5-oxo-4-phenyl-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The InChIKey is RGEUWBOXQJLCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-4-8-13-11-14-16(19(23)22(13)2)15(12-9-6-5-7-10-12)17(18(21)26-14)20(24)25-3/h5-7,9-11,15H,4,8,21H2,1-3H3.
What are the key properties of methyl 2-amino-6-methyl-5-oxo-4-phenyl-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate?
methyl 2-amino-6-methyl-5-oxo-4-phenyl-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate has a molecular weight of 354.41 g/mol, XLogP of 2.21, 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-methyl-5-oxo-4-phenyl-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate is sourced from PubChem (CID 23475778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).