2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

C17H26N4O4 — CID 17440649

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C17H26N4O4/c22-14-4-5-16(24)21(19-14)12-15(23)18-13-17(6-2-1-3-7-17)20-8-10-25-11-9-20/h4-5H,1-3,6-13H2,(H,18,23)(H,19,22)
InChIKeyOVEQPLAVYLPEQU-UHFFFAOYSA-N
MW350.42 g/mol
LogP-0.31
Rot. Bonds5

About 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (PubChem CID 17440649) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
PubChem CID17440649
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C17H26N4O4/c22-14-4-5-16(24)21(19-14)12-15(23)18-13-17(6-2-1-3-7-17)20-8-10-25-11-9-20/h4-5H,1-3,6-13H2,(H,18,23)(H,19,22)
InChIKeyOVEQPLAVYLPEQU-UHFFFAOYSA-N
XLogP-0.31
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (CID 17440649) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is O=C(Cn1[nH]c(=O)ccc1=O)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The InChIKey is OVEQPLAVYLPEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4/c22-14-4-5-16(24)21(19-14)12-15(23)18-13-17(6-2-1-3-7-17)20-8-10-25-11-9-20/h4-5H,1-3,6-13H2,(H,18,23)(H,19,22).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide has a molecular weight of 350.42 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 17440649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).