N-cyclopentyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide

C18H21N3O2 — CID 5070703

IUPACN-cyclopentyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)NC3CCCC3)n2)cc1
InChIInChI=1S/C18H21N3O2/c1-13-6-8-14(9-7-13)16-10-11-18(23)21(20-16)12-17(22)19-15-4-2-3-5-15/h6-11,15H,2-5,12H2,1H3,(H,19,22)
InChIKeyFVYLCMVMVKAYDV-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.28
Rot. Bonds4

About N-cyclopentyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide

N-cyclopentyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 5070703) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-cyclopentyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID5070703
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-cyclopentyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)NC3CCCC3)n2)cc1
InChIInChI=1S/C18H21N3O2/c1-13-6-8-14(9-7-13)16-10-11-18(23)21(20-16)12-17(22)19-15-4-2-3-5-15/h6-11,15H,2-5,12H2,1H3,(H,19,22)
InChIKeyFVYLCMVMVKAYDV-UHFFFAOYSA-N
XLogP2.28
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide (CID 5070703) is N-cyclopentyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide is Cc1ccc(-c2ccc(=O)n(CC(=O)NC3CCCC3)n2)cc1.
What is the InChIKey of N-cyclopentyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is FVYLCMVMVKAYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-6-8-14(9-7-13)16-10-11-18(23)21(20-16)12-17(22)19-15-4-2-3-5-15/h6-11,15H,2-5,12H2,1H3,(H,19,22).
What are the key properties of N-cyclopentyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
N-cyclopentyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 311.38 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 5070703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).