2-[7-butyl-1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-ethyl-N-(4-ethylphenyl)acetamide

C30H34N4O2 — CID 131992015

IUPAC2-[7-butyl-1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-ethyl-N-(4-ethylphenyl)acetamide
SMILESCCCCc1ccc2c(Cc3cccnc3)nn(CC(=O)N(CC)c3ccc(CC)cc3)c(=O)c2c1
InChIInChI=1S/C30H34N4O2/c1-4-7-9-23-13-16-26-27(18-23)30(36)34(32-28(26)19-24-10-8-17-31-20-24)21-29(35)33(6-3)25-14-11-22(5-2)12-15-25/h8,10-18,20H,4-7,9,19,21H2,1-3H3
InChIKeyRLOXSTVYIKMLRX-UHFFFAOYSA-N
MW482.63 g/mol
LogP5.34
Rot. Bonds10

About 2-[7-butyl-1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-ethyl-N-(4-ethylphenyl)acetamide

2-[7-butyl-1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-ethyl-N-(4-ethylphenyl)acetamide (PubChem CID 131992015) has the molecular formula C30H34N4O2 and a molecular weight of 482.63 g/mol. Its IUPAC name is 2-[7-butyl-1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-ethyl-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[7-butyl-1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-ethyl-N-(4-ethylphenyl)acetamide
PubChem CID131992015
Molecular FormulaC30H34N4O2
Molecular Weight482.63 g/mol
Exact Mass482.27
IUPAC Name2-[7-butyl-1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-ethyl-N-(4-ethylphenyl)acetamide
SMILESCCCCc1ccc2c(Cc3cccnc3)nn(CC(=O)N(CC)c3ccc(CC)cc3)c(=O)c2c1
InChIInChI=1S/C30H34N4O2/c1-4-7-9-23-13-16-26-27(18-23)30(36)34(32-28(26)19-24-10-8-17-31-20-24)21-29(35)33(6-3)25-14-11-22(5-2)12-15-25/h8,10-18,20H,4-7,9,19,21H2,1-3H3
InChIKeyRLOXSTVYIKMLRX-UHFFFAOYSA-N
XLogP5.34
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[7-butyl-1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-ethyl-N-(4-ethylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-(4-methoxyphenyl)-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide
CID 20875976
2-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-4-(pyridin-3-ylmethyl)phthalazin-1-one
CID 20875926
N-[(4-ethoxyphenyl)methyl]-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide
CID 20875995
N-ethyl-N-(4-ethylphenyl)-2-[4-[4-(hydroxymethyl)phenyl]-1-oxophthalazin-2-yl]acetamide
CID 123356670
2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 20875983
methyl 6-[[2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetyl]amino]-1,3-benzodioxole-5-carboxylate
CID 20876010
2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 20876004
N-(4-fluorophenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 20875884
N-butyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 20875787
2-ethyl-5-methyl-N-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 42789348
3-(N-acetyl-4-ethylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113125365
N-ethyl-N-(4-ethylphenyl)-2-[4-[hydroxy(pyridin-3-yl)methyl]-6-methyl-1H-phthalazin-2-yl]acetamide
CID 141422137

Frequently Asked Questions

What is the IUPAC name of 2-[7-butyl-1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-ethyl-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[7-butyl-1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-ethyl-N-(4-ethylphenyl)acetamide (CID 131992015) is 2-[7-butyl-1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-ethyl-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[7-butyl-1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-ethyl-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[7-butyl-1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-ethyl-N-(4-ethylphenyl)acetamide is CCCCc1ccc2c(Cc3cccnc3)nn(CC(=O)N(CC)c3ccc(CC)cc3)c(=O)c2c1.
What is the InChIKey of 2-[7-butyl-1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-ethyl-N-(4-ethylphenyl)acetamide?
The InChIKey is RLOXSTVYIKMLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O2/c1-4-7-9-23-13-16-26-27(18-23)30(36)34(32-28(26)19-24-10-8-17-31-20-24)21-29(35)33(6-3)25-14-11-22(5-2)12-15-25/h8,10-18,20H,4-7,9,19,21H2,1-3H3.
What are the key properties of 2-[7-butyl-1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-ethyl-N-(4-ethylphenyl)acetamide?
2-[7-butyl-1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-ethyl-N-(4-ethylphenyl)acetamide has a molecular weight of 482.63 g/mol, XLogP of 5.34, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-butyl-1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-ethyl-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 131992015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).