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

C24H23N3O4 — CID 661975

IUPACmethyl 2-amino-7-methyl-5-oxo-6-(2-phenylethyl)-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate
SMILESCOC(=O)C1=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c2C1c1cccnc1
InChIInChI=1S/C24H23N3O4/c1-15-13-18-20(23(28)27(15)12-10-16-7-4-3-5-8-16)19(17-9-6-11-26-14-17)21(22(25)31-18)24(29)30-2/h3-9,11,13-14,19H,10,12,25H2,1-2H3
InChIKeyZXWPSQHMWUTNIF-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.66
Rot. Bonds5

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

methyl 2-amino-7-methyl-5-oxo-6-(2-phenylethyl)-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate (PubChem CID 661975) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is methyl 2-amino-7-methyl-5-oxo-6-(2-phenylethyl)-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-7-methyl-5-oxo-6-(2-phenylethyl)-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate
PubChem CID661975
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Namemethyl 2-amino-7-methyl-5-oxo-6-(2-phenylethyl)-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate
SMILESCOC(=O)C1=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c2C1c1cccnc1
InChIInChI=1S/C24H23N3O4/c1-15-13-18-20(23(28)27(15)12-10-16-7-4-3-5-8-16)19(17-9-6-11-26-14-17)21(22(25)31-18)24(29)30-2/h3-9,11,13-14,19H,10,12,25H2,1-2H3
InChIKeyZXWPSQHMWUTNIF-UHFFFAOYSA-N
XLogP2.66
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-7-methyl-5-oxo-6-(2-phenylethyl)-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The IUPAC name of methyl 2-amino-7-methyl-5-oxo-6-(2-phenylethyl)-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate (CID 661975) is methyl 2-amino-7-methyl-5-oxo-6-(2-phenylethyl)-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-amino-7-methyl-5-oxo-6-(2-phenylethyl)-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-amino-7-methyl-5-oxo-6-(2-phenylethyl)-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate is COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c2C1c1cccnc1.
What is the InChIKey of methyl 2-amino-7-methyl-5-oxo-6-(2-phenylethyl)-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The InChIKey is ZXWPSQHMWUTNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-15-13-18-20(23(28)27(15)12-10-16-7-4-3-5-8-16)19(17-9-6-11-26-14-17)21(22(25)31-18)24(29)30-2/h3-9,11,13-14,19H,10,12,25H2,1-2H3.
What are the key properties of methyl 2-amino-7-methyl-5-oxo-6-(2-phenylethyl)-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate?
methyl 2-amino-7-methyl-5-oxo-6-(2-phenylethyl)-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate has a molecular weight of 417.47 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-7-methyl-5-oxo-6-(2-phenylethyl)-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate is sourced from PubChem (CID 661975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).