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

C25H24N4O3 — CID 20875976

IUPACN-ethyl-N-(4-methoxyphenyl)-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide
SMILESCCN(C(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O)c1ccc(OC)cc1
InChIInChI=1S/C25H24N4O3/c1-3-28(19-10-12-20(32-2)13-11-19)24(30)17-29-25(31)22-9-5-4-8-21(22)23(27-29)15-18-7-6-14-26-16-18/h4-14,16H,3,15,17H2,1-2H3
InChIKeyQYAMBRWBCWINGF-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.44
Rot. Bonds7

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

N-ethyl-N-(4-methoxyphenyl)-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide (PubChem CID 20875976) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-ethyl-N-(4-methoxyphenyl)-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-(4-methoxyphenyl)-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide
PubChem CID20875976
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC NameN-ethyl-N-(4-methoxyphenyl)-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide
SMILESCCN(C(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O)c1ccc(OC)cc1
InChIInChI=1S/C25H24N4O3/c1-3-28(19-10-12-20(32-2)13-11-19)24(30)17-29-25(31)22-9-5-4-8-21(22)23(27-29)15-18-7-6-14-26-16-18/h4-14,16H,3,15,17H2,1-2H3
InChIKeyQYAMBRWBCWINGF-UHFFFAOYSA-N
XLogP3.44
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[7-butyl-1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-ethyl-N-(4-ethylphenyl)acetamide
CID 131992015
N-[(4-ethoxyphenyl)methyl]-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide
CID 20875995
1-[(4-methoxyphenyl)methyl]-3-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]urea
CID 121049733
2-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-4-(pyridin-3-ylmethyl)phthalazin-1-one
CID 20875926
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-butyl-4-[(4-methoxyphenyl)methyl]phthalazin-1-one
CID 15959123
N-(4-fluorophenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 20875884
2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 20876004
2-[methyl-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]-2-pyridin-3-ylacetic acid
CID 72856204
N-(4-methoxyphenyl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide
CID 110360620
phenyl N-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)carbamate
CID 110360643

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-methoxyphenyl)-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide?
The IUPAC name of N-ethyl-N-(4-methoxyphenyl)-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide (CID 20875976) is N-ethyl-N-(4-methoxyphenyl)-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-(4-methoxyphenyl)-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-(4-methoxyphenyl)-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide is CCN(C(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O)c1ccc(OC)cc1.
What is the InChIKey of N-ethyl-N-(4-methoxyphenyl)-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide?
The InChIKey is QYAMBRWBCWINGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-3-28(19-10-12-20(32-2)13-11-19)24(30)17-29-25(31)22-9-5-4-8-21(22)23(27-29)15-18-7-6-14-26-16-18/h4-14,16H,3,15,17H2,1-2H3.
What are the key properties of N-ethyl-N-(4-methoxyphenyl)-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide?
N-ethyl-N-(4-methoxyphenyl)-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide has a molecular weight of 428.49 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-methoxyphenyl)-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide is sourced from PubChem (CID 20875976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).