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

C22H26N4O5 — CID 2034759

IUPACmethyl (4S)-2-amino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate
SMILESCOC(=O)C1=C(N)Oc2cc(C)n(CCN3CCOCC3)c(=O)c2[C@@H]1c1cccnc1
InChIInChI=1S/C22H26N4O5/c1-14-12-16-18(21(27)26(14)7-6-25-8-10-30-11-9-25)17(15-4-3-5-24-13-15)19(20(23)31-16)22(28)29-2/h3-5,12-13,17H,6-11,23H2,1-2H3/t17-/m0/s1
InChIKeyJBJJFSZYRCIWMW-KRWDZBQOSA-N
MW426.47 g/mol
LogP0.75
Rot. Bonds5

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

methyl (4S)-2-amino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate (PubChem CID 2034759) has the molecular formula C22H26N4O5 and a molecular weight of 426.47 g/mol. Its IUPAC name is methyl (4S)-2-amino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl (4S)-2-amino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate
PubChem CID2034759
Molecular FormulaC22H26N4O5
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Namemethyl (4S)-2-amino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate
SMILESCOC(=O)C1=C(N)Oc2cc(C)n(CCN3CCOCC3)c(=O)c2[C@@H]1c1cccnc1
InChIInChI=1S/C22H26N4O5/c1-14-12-16-18(21(27)26(14)7-6-25-8-10-30-11-9-25)17(15-4-3-5-24-13-15)19(20(23)31-16)22(28)29-2/h3-5,12-13,17H,6-11,23H2,1-2H3/t17-/m0/s1
InChIKeyJBJJFSZYRCIWMW-KRWDZBQOSA-N
XLogP0.75
TPSA108.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl (4S)-2-amino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

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
methyl (4S)-2-amino-4-(3-chlorophenyl)-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 28874974
methyl 2-amino-6-ethyl-5-oxo-7-propyl-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 23475843
methyl 2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 3773252
methyl (4R)-2-amino-7-methyl-5-oxo-4-phenyl-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 7056332
methyl 2-amino-6-ethyl-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 4970140
methyl 2-amino-6-benzyl-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 3281146
methyl (4S)-2-amino-6-ethyl-4-(3-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 7287346
methyl (4S)-2-amino-7-methyl-5-oxo-4-phenyl-6-(pyridin-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 2147773
methyl (4S)-2-amino-4-(2-fluorophenyl)-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 41184643
methyl (4R)-2-amino-6-benzyl-4-(3-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 41388703
methyl (4R)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 41035447

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-2-amino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The IUPAC name of methyl (4S)-2-amino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate (CID 2034759) is methyl (4S)-2-amino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl (4S)-2-amino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The canonical SMILES for methyl (4S)-2-amino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate is COC(=O)C1=C(N)Oc2cc(C)n(CCN3CCOCC3)c(=O)c2[C@@H]1c1cccnc1.
What is the InChIKey of methyl (4S)-2-amino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The InChIKey is JBJJFSZYRCIWMW-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H26N4O5/c1-14-12-16-18(21(27)26(14)7-6-25-8-10-30-11-9-25)17(15-4-3-5-24-13-15)19(20(23)31-16)22(28)29-2/h3-5,12-13,17H,6-11,23H2,1-2H3/t17-/m0/s1.
What are the key properties of methyl (4S)-2-amino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate?
methyl (4S)-2-amino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate has a molecular weight of 426.47 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-2-amino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate is sourced from PubChem (CID 2034759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).