methyl 2-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholine-4-carbonyl]amino]benzoate

C19H20N6O5 — CID 3475985

IUPACmethyl 2-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)N1CCOC(COn2nnc3cccnc32)C1
InChIInChI=1S/C19H20N6O5/c1-28-18(26)14-5-2-3-6-15(14)21-19(27)24-9-10-29-13(11-24)12-30-25-17-16(22-23-25)7-4-8-20-17/h2-8,13H,9-12H2,1H3,(H,21,27)
InChIKeyRXTYHPFSGJAFCB-UHFFFAOYSA-N
MW412.41 g/mol
LogP0.97
Rot. Bonds5

About methyl 2-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholine-4-carbonyl]amino]benzoate

methyl 2-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholine-4-carbonyl]amino]benzoate (PubChem CID 3475985) has the molecular formula C19H20N6O5 and a molecular weight of 412.41 g/mol. Its IUPAC name is methyl 2-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholine-4-carbonyl]amino]benzoate
PubChem CID3475985
Molecular FormulaC19H20N6O5
Molecular Weight412.41 g/mol
Exact Mass412.15
IUPAC Namemethyl 2-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)N1CCOC(COn2nnc3cccnc32)C1
InChIInChI=1S/C19H20N6O5/c1-28-18(26)14-5-2-3-6-15(14)21-19(27)24-9-10-29-13(11-24)12-30-25-17-16(22-23-25)7-4-8-20-17/h2-8,13H,9-12H2,1H3,(H,21,27)
InChIKeyRXTYHPFSGJAFCB-UHFFFAOYSA-N
XLogP0.97
TPSA120.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholine-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholine-4-carbonyl]amino]benzoate (CID 3475985) is methyl 2-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholine-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholine-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholine-4-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)N1CCOC(COn2nnc3cccnc32)C1.
What is the InChIKey of methyl 2-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholine-4-carbonyl]amino]benzoate?
The InChIKey is RXTYHPFSGJAFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O5/c1-28-18(26)14-5-2-3-6-15(14)21-19(27)24-9-10-29-13(11-24)12-30-25-17-16(22-23-25)7-4-8-20-17/h2-8,13H,9-12H2,1H3,(H,21,27).
What are the key properties of methyl 2-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholine-4-carbonyl]amino]benzoate?
methyl 2-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholine-4-carbonyl]amino]benzoate has a molecular weight of 412.41 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 3475985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).