N-(1-cyanocyclohexyl)-2-(5,6-dimethylpyridazin-3-yl)oxy-N-methylacetamide

C16H22N4O2 — CID 56782753

IUPACN-(1-cyanocyclohexyl)-2-(5,6-dimethylpyridazin-3-yl)oxy-N-methylacetamide
SMILESCc1cc(OCC(=O)N(C)C2(C#N)CCCCC2)nnc1C
InChIInChI=1S/C16H22N4O2/c1-12-9-14(19-18-13(12)2)22-10-15(21)20(3)16(11-17)7-5-4-6-8-16/h9H,4-8,10H2,1-3H3
InChIKeyHXVXNSLWNQEFPO-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.16
Rot. Bonds4

About N-(1-cyanocyclohexyl)-2-(5,6-dimethylpyridazin-3-yl)oxy-N-methylacetamide

N-(1-cyanocyclohexyl)-2-(5,6-dimethylpyridazin-3-yl)oxy-N-methylacetamide (PubChem CID 56782753) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-(5,6-dimethylpyridazin-3-yl)oxy-N-methylacetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-(5,6-dimethylpyridazin-3-yl)oxy-N-methylacetamide
PubChem CID56782753
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-(1-cyanocyclohexyl)-2-(5,6-dimethylpyridazin-3-yl)oxy-N-methylacetamide
SMILESCc1cc(OCC(=O)N(C)C2(C#N)CCCCC2)nnc1C
InChIInChI=1S/C16H22N4O2/c1-12-9-14(19-18-13(12)2)22-10-15(21)20(3)16(11-17)7-5-4-6-8-16/h9H,4-8,10H2,1-3H3
InChIKeyHXVXNSLWNQEFPO-UHFFFAOYSA-N
XLogP2.16
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-(5,6-dimethylpyridazin-3-yl)oxy-N-methylacetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-(5,6-dimethylpyridazin-3-yl)oxy-N-methylacetamide (CID 56782753) is N-(1-cyanocyclohexyl)-2-(5,6-dimethylpyridazin-3-yl)oxy-N-methylacetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-(5,6-dimethylpyridazin-3-yl)oxy-N-methylacetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-(5,6-dimethylpyridazin-3-yl)oxy-N-methylacetamide is Cc1cc(OCC(=O)N(C)C2(C#N)CCCCC2)nnc1C.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-(5,6-dimethylpyridazin-3-yl)oxy-N-methylacetamide?
The InChIKey is HXVXNSLWNQEFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12-9-14(19-18-13(12)2)22-10-15(21)20(3)16(11-17)7-5-4-6-8-16/h9H,4-8,10H2,1-3H3.
What are the key properties of N-(1-cyanocyclohexyl)-2-(5,6-dimethylpyridazin-3-yl)oxy-N-methylacetamide?
N-(1-cyanocyclohexyl)-2-(5,6-dimethylpyridazin-3-yl)oxy-N-methylacetamide has a molecular weight of 302.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-(5,6-dimethylpyridazin-3-yl)oxy-N-methylacetamide is sourced from PubChem (CID 56782753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).