5-methoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide

C17H20N4O5 — CID 70718707

IUPAC5-methoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide
SMILESCOc1coc(C(=O)NCC2CCN(c3cnn(C)c(=O)c3)C2)cc1=O
InChIInChI=1S/C17H20N4O5/c1-20-16(23)5-12(8-19-20)21-4-3-11(9-21)7-18-17(24)14-6-13(22)15(25-2)10-26-14/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,18,24)
InChIKeyUGCUOPJPNONJPN-UHFFFAOYSA-N
MW360.37 g/mol
LogP-0.00
Rot. Bonds5

About 5-methoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide

5-methoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide (PubChem CID 70718707) has the molecular formula C17H20N4O5 and a molecular weight of 360.37 g/mol. Its IUPAC name is 5-methoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide
PubChem CID70718707
Molecular FormulaC17H20N4O5
Molecular Weight360.37 g/mol
Exact Mass360.14
IUPAC Name5-methoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide
SMILESCOc1coc(C(=O)NCC2CCN(c3cnn(C)c(=O)c3)C2)cc1=O
InChIInChI=1S/C17H20N4O5/c1-20-16(23)5-12(8-19-20)21-4-3-11(9-21)7-18-17(24)14-6-13(22)15(25-2)10-26-14/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,18,24)
InChIKeyUGCUOPJPNONJPN-UHFFFAOYSA-N
XLogP-0.00
TPSA106.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide?
The IUPAC name of 5-methoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide (CID 70718707) is 5-methoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide.
What is the SMILES notation for 5-methoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide?
The canonical SMILES for 5-methoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide is COc1coc(C(=O)NCC2CCN(c3cnn(C)c(=O)c3)C2)cc1=O.
What is the InChIKey of 5-methoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide?
The InChIKey is UGCUOPJPNONJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5/c1-20-16(23)5-12(8-19-20)21-4-3-11(9-21)7-18-17(24)14-6-13(22)15(25-2)10-26-14/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,18,24).
What are the key properties of 5-methoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide?
5-methoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide has a molecular weight of 360.37 g/mol, XLogP of -0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide is sourced from PubChem (CID 70718707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).