N-ethyl-N-(4-ethylphenyl)-2-[4-[hydroxy(pyridin-3-yl)methyl]-6-methyl-1H-phthalazin-2-yl]acetamide

C27H30N4O2 — CID 141422137

IUPACN-ethyl-N-(4-ethylphenyl)-2-[4-[hydroxy(pyridin-3-yl)methyl]-6-methyl-1H-phthalazin-2-yl]acetamide
SMILESCCc1ccc(N(CC)C(=O)CN2Cc3ccc(C)cc3C(C(O)c3cccnc3)=N2)cc1
InChIInChI=1S/C27H30N4O2/c1-4-20-9-12-23(13-10-20)31(5-2)25(32)18-30-17-22-11-8-19(3)15-24(22)26(29-30)27(33)21-7-6-14-28-16-21/h6-16,27,33H,4-5,17-18H2,1-3H3
InChIKeyHZSZJQDKCTYQHH-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.26
Rot. Bonds7

About N-ethyl-N-(4-ethylphenyl)-2-[4-[hydroxy(pyridin-3-yl)methyl]-6-methyl-1H-phthalazin-2-yl]acetamide

N-ethyl-N-(4-ethylphenyl)-2-[4-[hydroxy(pyridin-3-yl)methyl]-6-methyl-1H-phthalazin-2-yl]acetamide (PubChem CID 141422137) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-ethyl-N-(4-ethylphenyl)-2-[4-[hydroxy(pyridin-3-yl)methyl]-6-methyl-1H-phthalazin-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-(4-ethylphenyl)-2-[4-[hydroxy(pyridin-3-yl)methyl]-6-methyl-1H-phthalazin-2-yl]acetamide
PubChem CID141422137
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC NameN-ethyl-N-(4-ethylphenyl)-2-[4-[hydroxy(pyridin-3-yl)methyl]-6-methyl-1H-phthalazin-2-yl]acetamide
SMILESCCc1ccc(N(CC)C(=O)CN2Cc3ccc(C)cc3C(C(O)c3cccnc3)=N2)cc1
InChIInChI=1S/C27H30N4O2/c1-4-20-9-12-23(13-10-20)31(5-2)25(32)18-30-17-22-11-8-19(3)15-24(22)26(29-30)27(33)21-7-6-14-28-16-21/h6-16,27,33H,4-5,17-18H2,1-3H3
InChIKeyHZSZJQDKCTYQHH-UHFFFAOYSA-N
XLogP4.26
TPSA69.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-N-(4-ethylphenyl)-2-[4-[hydroxy(pyridin-3-yl)methyl]-6-methyl-1H-phthalazin-2-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-ethylphenyl)-2-[4-[hydroxy(pyridin-3-yl)methyl]-6-methyl-1H-phthalazin-2-yl]acetamide?
The IUPAC name of N-ethyl-N-(4-ethylphenyl)-2-[4-[hydroxy(pyridin-3-yl)methyl]-6-methyl-1H-phthalazin-2-yl]acetamide (CID 141422137) is N-ethyl-N-(4-ethylphenyl)-2-[4-[hydroxy(pyridin-3-yl)methyl]-6-methyl-1H-phthalazin-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-(4-ethylphenyl)-2-[4-[hydroxy(pyridin-3-yl)methyl]-6-methyl-1H-phthalazin-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-(4-ethylphenyl)-2-[4-[hydroxy(pyridin-3-yl)methyl]-6-methyl-1H-phthalazin-2-yl]acetamide is CCc1ccc(N(CC)C(=O)CN2Cc3ccc(C)cc3C(C(O)c3cccnc3)=N2)cc1.
What is the InChIKey of N-ethyl-N-(4-ethylphenyl)-2-[4-[hydroxy(pyridin-3-yl)methyl]-6-methyl-1H-phthalazin-2-yl]acetamide?
The InChIKey is HZSZJQDKCTYQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-4-20-9-12-23(13-10-20)31(5-2)25(32)18-30-17-22-11-8-19(3)15-24(22)26(29-30)27(33)21-7-6-14-28-16-21/h6-16,27,33H,4-5,17-18H2,1-3H3.
What are the key properties of N-ethyl-N-(4-ethylphenyl)-2-[4-[hydroxy(pyridin-3-yl)methyl]-6-methyl-1H-phthalazin-2-yl]acetamide?
N-ethyl-N-(4-ethylphenyl)-2-[4-[hydroxy(pyridin-3-yl)methyl]-6-methyl-1H-phthalazin-2-yl]acetamide has a molecular weight of 442.56 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-ethylphenyl)-2-[4-[hydroxy(pyridin-3-yl)methyl]-6-methyl-1H-phthalazin-2-yl]acetamide is sourced from PubChem (CID 141422137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).