N-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-methylacetamide

C16H23N3O2 — CID 122278330

IUPACN-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-methylacetamide
SMILESCN(C(=O)Cn1nc(C2CC2)ccc1=O)C1CCCCC1
InChIInChI=1S/C16H23N3O2/c1-18(13-5-3-2-4-6-13)16(21)11-19-15(20)10-9-14(17-19)12-7-8-12/h9-10,12-13H,2-8,11H2,1H3
InChIKeyKGHKROCEMIKLAL-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.91
Rot. Bonds4

About N-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-methylacetamide

N-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-methylacetamide (PubChem CID 122278330) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-methylacetamide
PubChem CID122278330
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-methylacetamide
SMILESCN(C(=O)Cn1nc(C2CC2)ccc1=O)C1CCCCC1
InChIInChI=1S/C16H23N3O2/c1-18(13-5-3-2-4-6-13)16(21)11-19-15(20)10-9-14(17-19)12-7-8-12/h9-10,12-13H,2-8,11H2,1H3
InChIKeyKGHKROCEMIKLAL-UHFFFAOYSA-N
XLogP1.91
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-methylacetamide (CID 122278330) is N-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-methylacetamide is CN(C(=O)Cn1nc(C2CC2)ccc1=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-methylacetamide?
The InChIKey is KGHKROCEMIKLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-18(13-5-3-2-4-6-13)16(21)11-19-15(20)10-9-14(17-19)12-7-8-12/h9-10,12-13H,2-8,11H2,1H3.
What are the key properties of N-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-methylacetamide?
N-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-methylacetamide has a molecular weight of 289.38 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-methylacetamide is sourced from PubChem (CID 122278330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).