methyl 6-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-[(1-methyl-2-oxopyrrolidin-3-yl)methoxy]benzoyl]amino]pyridine-3-carboxylate

C29H27N5O7 — CID 50913988

IUPACmethyl 6-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-[(1-methyl-2-oxopyrrolidin-3-yl)methoxy]benzoyl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(OCC3CCN(C)C3=O)cc(Oc3ccc(-c4nnc(C)o4)cc3)c2)nc1
InChIInChI=1S/C29H27N5O7/c1-17-32-33-27(40-17)18-4-7-22(8-5-18)41-24-13-21(12-23(14-24)39-16-20-10-11-34(2)28(20)36)26(35)31-25-9-6-19(15-30-25)29(37)38-3/h4-9,12-15,20H,10-11,16H2,1-3H3,(H,30,31,35)
InChIKeyAIAZRVSXURNIQS-UHFFFAOYSA-N
MW557.56 g/mol
LogP4.13
Rot. Bonds9

About methyl 6-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-[(1-methyl-2-oxopyrrolidin-3-yl)methoxy]benzoyl]amino]pyridine-3-carboxylate

methyl 6-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-[(1-methyl-2-oxopyrrolidin-3-yl)methoxy]benzoyl]amino]pyridine-3-carboxylate (PubChem CID 50913988) has the molecular formula C29H27N5O7 and a molecular weight of 557.56 g/mol. Its IUPAC name is methyl 6-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-[(1-methyl-2-oxopyrrolidin-3-yl)methoxy]benzoyl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-[(1-methyl-2-oxopyrrolidin-3-yl)methoxy]benzoyl]amino]pyridine-3-carboxylate
PubChem CID50913988
Molecular FormulaC29H27N5O7
Molecular Weight557.56 g/mol
Exact Mass557.19
IUPAC Namemethyl 6-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-[(1-methyl-2-oxopyrrolidin-3-yl)methoxy]benzoyl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(OCC3CCN(C)C3=O)cc(Oc3ccc(-c4nnc(C)o4)cc3)c2)nc1
InChIInChI=1S/C29H27N5O7/c1-17-32-33-27(40-17)18-4-7-22(8-5-18)41-24-13-21(12-23(14-24)39-16-20-10-11-34(2)28(20)36)26(35)31-25-9-6-19(15-30-25)29(37)38-3/h4-9,12-15,20H,10-11,16H2,1-3H3,(H,30,31,35)
InChIKeyAIAZRVSXURNIQS-UHFFFAOYSA-N
XLogP4.13
TPSA145.98 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.56
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze methyl 6-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-[(1-methyl-2-oxopyrrolidin-3-yl)methoxy]benzoyl]amino]pyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-[(1-methyl-2-oxopyrrolidin-3-yl)methoxy]benzoyl]amino]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-[(1-methyl-2-oxopyrrolidin-3-yl)methoxy]benzoyl]amino]pyridine-3-carboxylate (CID 50913988) is methyl 6-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-[(1-methyl-2-oxopyrrolidin-3-yl)methoxy]benzoyl]amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-[(1-methyl-2-oxopyrrolidin-3-yl)methoxy]benzoyl]amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-[(1-methyl-2-oxopyrrolidin-3-yl)methoxy]benzoyl]amino]pyridine-3-carboxylate is COC(=O)c1ccc(NC(=O)c2cc(OCC3CCN(C)C3=O)cc(Oc3ccc(-c4nnc(C)o4)cc3)c2)nc1.
What is the InChIKey of methyl 6-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-[(1-methyl-2-oxopyrrolidin-3-yl)methoxy]benzoyl]amino]pyridine-3-carboxylate?
The InChIKey is AIAZRVSXURNIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O7/c1-17-32-33-27(40-17)18-4-7-22(8-5-18)41-24-13-21(12-23(14-24)39-16-20-10-11-34(2)28(20)36)26(35)31-25-9-6-19(15-30-25)29(37)38-3/h4-9,12-15,20H,10-11,16H2,1-3H3,(H,30,31,35).
What are the key properties of methyl 6-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-[(1-methyl-2-oxopyrrolidin-3-yl)methoxy]benzoyl]amino]pyridine-3-carboxylate?
methyl 6-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-[(1-methyl-2-oxopyrrolidin-3-yl)methoxy]benzoyl]amino]pyridine-3-carboxylate has a molecular weight of 557.56 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-[(1-methyl-2-oxopyrrolidin-3-yl)methoxy]benzoyl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 50913988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).