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

C16H23N3O2 — CID 122246399

IUPACN-(cyclohexylmethyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(C2CC2)ccc1=O)NCC1CCCCC1
InChIInChI=1S/C16H23N3O2/c20-15(17-10-12-4-2-1-3-5-12)11-19-16(21)9-8-14(18-19)13-6-7-13/h8-9,12-13H,1-7,10-11H2,(H,17,20)
InChIKeyABMDCGFKBCBDCE-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.82
Rot. Bonds5

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

N-(cyclohexylmethyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide (PubChem CID 122246399) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide
PubChem CID122246399
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(cyclohexylmethyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(C2CC2)ccc1=O)NCC1CCCCC1
InChIInChI=1S/C16H23N3O2/c20-15(17-10-12-4-2-1-3-5-12)11-19-16(21)9-8-14(18-19)13-6-7-13/h8-9,12-13H,1-7,10-11H2,(H,17,20)
InChIKeyABMDCGFKBCBDCE-UHFFFAOYSA-N
XLogP1.82
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide (CID 122246399) is N-(cyclohexylmethyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide is O=C(Cn1nc(C2CC2)ccc1=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide?
The InChIKey is ABMDCGFKBCBDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-15(17-10-12-4-2-1-3-5-12)11-19-16(21)9-8-14(18-19)13-6-7-13/h8-9,12-13H,1-7,10-11H2,(H,17,20).
What are the key properties of N-(cyclohexylmethyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide?
N-(cyclohexylmethyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide has a molecular weight of 289.38 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 122246399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).