3-cyclopentyl-N-(8-methylphthalazin-1-yl)propanamide

C17H21N3O — CID 90468153

IUPAC3-cyclopentyl-N-(8-methylphthalazin-1-yl)propanamide
SMILESCc1cccc2cnnc(NC(=O)CCC3CCCC3)c12
InChIInChI=1S/C17H21N3O/c1-12-5-4-8-14-11-18-20-17(16(12)14)19-15(21)10-9-13-6-2-3-7-13/h4-5,8,11,13H,2-3,6-7,9-10H2,1H3,(H,19,20,21)
InChIKeyMQLRLVQEEAYYLS-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.85
Rot. Bonds4

About 3-cyclopentyl-N-(8-methylphthalazin-1-yl)propanamide

3-cyclopentyl-N-(8-methylphthalazin-1-yl)propanamide (PubChem CID 90468153) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-cyclopentyl-N-(8-methylphthalazin-1-yl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(8-methylphthalazin-1-yl)propanamide
PubChem CID90468153
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name3-cyclopentyl-N-(8-methylphthalazin-1-yl)propanamide
SMILESCc1cccc2cnnc(NC(=O)CCC3CCCC3)c12
InChIInChI=1S/C17H21N3O/c1-12-5-4-8-14-11-18-20-17(16(12)14)19-15(21)10-9-13-6-2-3-7-13/h4-5,8,11,13H,2-3,6-7,9-10H2,1H3,(H,19,20,21)
InChIKeyMQLRLVQEEAYYLS-UHFFFAOYSA-N
XLogP3.85
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(8-methylphthalazin-1-yl)propanamide?
The IUPAC name of 3-cyclopentyl-N-(8-methylphthalazin-1-yl)propanamide (CID 90468153) is 3-cyclopentyl-N-(8-methylphthalazin-1-yl)propanamide.
What is the SMILES notation for 3-cyclopentyl-N-(8-methylphthalazin-1-yl)propanamide?
The canonical SMILES for 3-cyclopentyl-N-(8-methylphthalazin-1-yl)propanamide is Cc1cccc2cnnc(NC(=O)CCC3CCCC3)c12.
What is the InChIKey of 3-cyclopentyl-N-(8-methylphthalazin-1-yl)propanamide?
The InChIKey is MQLRLVQEEAYYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-5-4-8-14-11-18-20-17(16(12)14)19-15(21)10-9-13-6-2-3-7-13/h4-5,8,11,13H,2-3,6-7,9-10H2,1H3,(H,19,20,21).
What are the key properties of 3-cyclopentyl-N-(8-methylphthalazin-1-yl)propanamide?
3-cyclopentyl-N-(8-methylphthalazin-1-yl)propanamide has a molecular weight of 283.37 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(8-methylphthalazin-1-yl)propanamide is sourced from PubChem (CID 90468153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).