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

C18H19N3O5 — CID 7179576

IUPACmethyl (4S)-2-amino-6-(2-hydroxyethyl)-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate
SMILESCOC(=O)C1=C(N)Oc2cc(C)n(CCO)c(=O)c2[C@@H]1c1cccnc1
InChIInChI=1S/C18H19N3O5/c1-10-8-12-14(17(23)21(10)6-7-22)13(11-4-3-5-20-9-11)15(16(19)26-12)18(24)25-2/h3-5,8-9,13,22H,6-7,19H2,1-2H3/t13-/m0/s1
InChIKeyBBPLTBWSJVMKLO-ZDUSSCGKSA-N
MW357.37 g/mol
LogP0.41
Rot. Bonds4

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

methyl (4S)-2-amino-6-(2-hydroxyethyl)-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate (PubChem CID 7179576) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is methyl (4S)-2-amino-6-(2-hydroxyethyl)-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl (4S)-2-amino-6-(2-hydroxyethyl)-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate
PubChem CID7179576
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Namemethyl (4S)-2-amino-6-(2-hydroxyethyl)-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate
SMILESCOC(=O)C1=C(N)Oc2cc(C)n(CCO)c(=O)c2[C@@H]1c1cccnc1
InChIInChI=1S/C18H19N3O5/c1-10-8-12-14(17(23)21(10)6-7-22)13(11-4-3-5-20-9-11)15(16(19)26-12)18(24)25-2/h3-5,8-9,13,22H,6-7,19H2,1-2H3/t13-/m0/s1
InChIKeyBBPLTBWSJVMKLO-ZDUSSCGKSA-N
XLogP0.41
TPSA116.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl (4S)-2-amino-6-(2-hydroxyethyl)-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The IUPAC name of methyl (4S)-2-amino-6-(2-hydroxyethyl)-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate (CID 7179576) is methyl (4S)-2-amino-6-(2-hydroxyethyl)-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl (4S)-2-amino-6-(2-hydroxyethyl)-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The canonical SMILES for methyl (4S)-2-amino-6-(2-hydroxyethyl)-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate is COC(=O)C1=C(N)Oc2cc(C)n(CCO)c(=O)c2[C@@H]1c1cccnc1.
What is the InChIKey of methyl (4S)-2-amino-6-(2-hydroxyethyl)-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The InChIKey is BBPLTBWSJVMKLO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-10-8-12-14(17(23)21(10)6-7-22)13(11-4-3-5-20-9-11)15(16(19)26-12)18(24)25-2/h3-5,8-9,13,22H,6-7,19H2,1-2H3/t13-/m0/s1.
What are the key properties of methyl (4S)-2-amino-6-(2-hydroxyethyl)-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate?
methyl (4S)-2-amino-6-(2-hydroxyethyl)-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate has a molecular weight of 357.37 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-2-amino-6-(2-hydroxyethyl)-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate is sourced from PubChem (CID 7179576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).