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

C14H21N3O4 — CID 65123297

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycycloheptyl)methyl]acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NCC1(O)CCCCCC1
InChIInChI=1S/C14H21N3O4/c18-11-5-6-13(20)17(16-11)9-12(19)15-10-14(21)7-3-1-2-4-8-14/h5-6,21H,1-4,7-10H2,(H,15,19)(H,16,18)
InChIKeyGXHQYAWFULDHGS-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.26
Rot. Bonds4

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

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycycloheptyl)methyl]acetamide (PubChem CID 65123297) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycycloheptyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycycloheptyl)methyl]acetamide
PubChem CID65123297
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycycloheptyl)methyl]acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NCC1(O)CCCCCC1
InChIInChI=1S/C14H21N3O4/c18-11-5-6-13(20)17(16-11)9-12(19)15-10-14(21)7-3-1-2-4-8-14/h5-6,21H,1-4,7-10H2,(H,15,19)(H,16,18)
InChIKeyGXHQYAWFULDHGS-UHFFFAOYSA-N
XLogP-0.26
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 65113564
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 65114035
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
CID 65120324
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide
CID 65124329
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 66179679
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxycycloheptyl)acetamide
CID 104282336
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpentyl)acetamide
CID 107363280

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycycloheptyl)methyl]acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycycloheptyl)methyl]acetamide (CID 65123297) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycycloheptyl)methyl]acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycycloheptyl)methyl]acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycycloheptyl)methyl]acetamide is O=C(Cn1[nH]c(=O)ccc1=O)NCC1(O)CCCCCC1.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycycloheptyl)methyl]acetamide?
The InChIKey is GXHQYAWFULDHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c18-11-5-6-13(20)17(16-11)9-12(19)15-10-14(21)7-3-1-2-4-8-14/h5-6,21H,1-4,7-10H2,(H,15,19)(H,16,18).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycycloheptyl)methyl]acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycycloheptyl)methyl]acetamide has a molecular weight of 295.34 g/mol, XLogP of -0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycycloheptyl)methyl]acetamide is sourced from PubChem (CID 65123297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).