N-(2,5-dimethylphenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide

C25H24N4O2 — CID 20875830

IUPACN-(2,5-dimethylphenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
SMILESCc1ccc(C)c(N(C)C(=O)Cn2nc(Cc3ccncc3)c3ccccc3c2=O)c1
InChIInChI=1S/C25H24N4O2/c1-17-8-9-18(2)23(14-17)28(3)24(30)16-29-25(31)21-7-5-4-6-20(21)22(27-29)15-19-10-12-26-13-11-19/h4-14H,15-16H2,1-3H3
InChIKeyMQEXKIACBYVWFA-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.66
Rot. Bonds5

About N-(2,5-dimethylphenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide

N-(2,5-dimethylphenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide (PubChem CID 20875830) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
PubChem CID20875830
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC NameN-(2,5-dimethylphenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
SMILESCc1ccc(C)c(N(C)C(=O)Cn2nc(Cc3ccncc3)c3ccccc3c2=O)c1
InChIInChI=1S/C25H24N4O2/c1-17-8-9-18(2)23(14-17)28(3)24(30)16-29-25(31)21-7-5-4-6-20(21)22(27-29)15-19-10-12-26-13-11-19/h4-14H,15-16H2,1-3H3
InChIKeyMQEXKIACBYVWFA-UHFFFAOYSA-N
XLogP3.66
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide (CID 20875830) is N-(2,5-dimethylphenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide is Cc1ccc(C)c(N(C)C(=O)Cn2nc(Cc3ccncc3)c3ccccc3c2=O)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide?
The InChIKey is MQEXKIACBYVWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-17-8-9-18(2)23(14-17)28(3)24(30)16-29-25(31)21-7-5-4-6-20(21)22(27-29)15-19-10-12-26-13-11-19/h4-14H,15-16H2,1-3H3.
What are the key properties of N-(2,5-dimethylphenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide?
N-(2,5-dimethylphenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide has a molecular weight of 412.49 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide is sourced from PubChem (CID 20875830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).