N-(1-cyanocyclohexyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide

C16H20N4O2 — CID 122246431

IUPACN-(1-cyanocyclohexyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide
SMILESN#CC1(NC(=O)Cn2nc(C3CC3)ccc2=O)CCCCC1
InChIInChI=1S/C16H20N4O2/c17-11-16(8-2-1-3-9-16)18-14(21)10-20-15(22)7-6-13(19-20)12-4-5-12/h6-7,12H,1-5,8-10H2,(H,18,21)
InChIKeyDGTNLJBMCQTHMD-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.46
Rot. Bonds4

About N-(1-cyanocyclohexyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide

N-(1-cyanocyclohexyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide (PubChem CID 122246431) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide
PubChem CID122246431
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-(1-cyanocyclohexyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide
SMILESN#CC1(NC(=O)Cn2nc(C3CC3)ccc2=O)CCCCC1
InChIInChI=1S/C16H20N4O2/c17-11-16(8-2-1-3-9-16)18-14(21)10-20-15(22)7-6-13(19-20)12-4-5-12/h6-7,12H,1-5,8-10H2,(H,18,21)
InChIKeyDGTNLJBMCQTHMD-UHFFFAOYSA-N
XLogP1.46
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide (CID 122246431) is N-(1-cyanocyclohexyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide is N#CC1(NC(=O)Cn2nc(C3CC3)ccc2=O)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide?
The InChIKey is DGTNLJBMCQTHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c17-11-16(8-2-1-3-9-16)18-14(21)10-20-15(22)7-6-13(19-20)12-4-5-12/h6-7,12H,1-5,8-10H2,(H,18,21).
What are the key properties of N-(1-cyanocyclohexyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide?
N-(1-cyanocyclohexyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide has a molecular weight of 300.36 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 122246431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).