N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]oxolane-3-carboxamide

C17H26N4O4 — CID 91924086

IUPACN-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]oxolane-3-carboxamide
SMILESCOCCn1ncc(N2CCC(NC(=O)C3CCOC3)CC2)cc1=O
InChIInChI=1S/C17H26N4O4/c1-24-9-7-21-16(22)10-15(11-18-21)20-5-2-14(3-6-20)19-17(23)13-4-8-25-12-13/h10-11,13-14H,2-9,12H2,1H3,(H,19,23)
InChIKeyIABTYRWNEYICSL-UHFFFAOYSA-N
MW350.42 g/mol
LogP0.01
Rot. Bonds6

About N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]oxolane-3-carboxamide

N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]oxolane-3-carboxamide (PubChem CID 91924086) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]oxolane-3-carboxamide
PubChem CID91924086
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC NameN-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]oxolane-3-carboxamide
SMILESCOCCn1ncc(N2CCC(NC(=O)C3CCOC3)CC2)cc1=O
InChIInChI=1S/C17H26N4O4/c1-24-9-7-21-16(22)10-15(11-18-21)20-5-2-14(3-6-20)19-17(23)13-4-8-25-12-13/h10-11,13-14H,2-9,12H2,1H3,(H,19,23)
InChIKeyIABTYRWNEYICSL-UHFFFAOYSA-N
XLogP0.01
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]oxolane-3-carboxamide?
The IUPAC name of N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]oxolane-3-carboxamide (CID 91924086) is N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]oxolane-3-carboxamide.
What is the SMILES notation for N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]oxolane-3-carboxamide?
The canonical SMILES for N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]oxolane-3-carboxamide is COCCn1ncc(N2CCC(NC(=O)C3CCOC3)CC2)cc1=O.
What is the InChIKey of N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]oxolane-3-carboxamide?
The InChIKey is IABTYRWNEYICSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-24-9-7-21-16(22)10-15(11-18-21)20-5-2-14(3-6-20)19-17(23)13-4-8-25-12-13/h10-11,13-14H,2-9,12H2,1H3,(H,19,23).
What are the key properties of N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]oxolane-3-carboxamide?
N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]oxolane-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]oxolane-3-carboxamide is sourced from PubChem (CID 91924086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).