N-cyclopropyl-4-[(4-methylphthalazin-1-yl)amino]butanamide

C16H20N4O — CID 112730869

IUPACN-cyclopropyl-4-[(4-methylphthalazin-1-yl)amino]butanamide
SMILESCc1nnc(NCCCC(=O)NC2CC2)c2ccccc12
InChIInChI=1S/C16H20N4O/c1-11-13-5-2-3-6-14(13)16(20-19-11)17-10-4-7-15(21)18-12-8-9-12/h2-3,5-6,12H,4,7-10H2,1H3,(H,17,20)(H,18,21)
InChIKeyGVZFNXQICBWZGO-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.41
Rot. Bonds6

About N-cyclopropyl-4-[(4-methylphthalazin-1-yl)amino]butanamide

N-cyclopropyl-4-[(4-methylphthalazin-1-yl)amino]butanamide (PubChem CID 112730869) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-cyclopropyl-4-[(4-methylphthalazin-1-yl)amino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(4-methylphthalazin-1-yl)amino]butanamide
PubChem CID112730869
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-cyclopropyl-4-[(4-methylphthalazin-1-yl)amino]butanamide
SMILESCc1nnc(NCCCC(=O)NC2CC2)c2ccccc12
InChIInChI=1S/C16H20N4O/c1-11-13-5-2-3-6-14(13)16(20-19-11)17-10-4-7-15(21)18-12-8-9-12/h2-3,5-6,12H,4,7-10H2,1H3,(H,17,20)(H,18,21)
InChIKeyGVZFNXQICBWZGO-UHFFFAOYSA-N
XLogP2.41
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(4-methylphthalazin-1-yl)amino]butanamide?
The IUPAC name of N-cyclopropyl-4-[(4-methylphthalazin-1-yl)amino]butanamide (CID 112730869) is N-cyclopropyl-4-[(4-methylphthalazin-1-yl)amino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[(4-methylphthalazin-1-yl)amino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[(4-methylphthalazin-1-yl)amino]butanamide is Cc1nnc(NCCCC(=O)NC2CC2)c2ccccc12.
What is the InChIKey of N-cyclopropyl-4-[(4-methylphthalazin-1-yl)amino]butanamide?
The InChIKey is GVZFNXQICBWZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-13-5-2-3-6-14(13)16(20-19-11)17-10-4-7-15(21)18-12-8-9-12/h2-3,5-6,12H,4,7-10H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-cyclopropyl-4-[(4-methylphthalazin-1-yl)amino]butanamide?
N-cyclopropyl-4-[(4-methylphthalazin-1-yl)amino]butanamide has a molecular weight of 284.36 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(4-methylphthalazin-1-yl)amino]butanamide is sourced from PubChem (CID 112730869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).