N-methyl-4-oxo-3-propyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]phthalazine-1-carboxamide

C24H28N4O2 — CID 31645422

IUPACN-methyl-4-oxo-3-propyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]phthalazine-1-carboxamide
SMILESCCCn1nc(C(=O)N(C)Cc2ccccc2N2CCCC2)c2ccccc2c1=O
InChIInChI=1S/C24H28N4O2/c1-3-14-28-23(29)20-12-6-5-11-19(20)22(25-28)24(30)26(2)17-18-10-4-7-13-21(18)27-15-8-9-16-27/h4-7,10-13H,3,8-9,14-17H2,1-2H3
InChIKeyZWAIANDWLYBXGR-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.68
Rot. Bonds6

About N-methyl-4-oxo-3-propyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]phthalazine-1-carboxamide

N-methyl-4-oxo-3-propyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]phthalazine-1-carboxamide (PubChem CID 31645422) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-methyl-4-oxo-3-propyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-oxo-3-propyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]phthalazine-1-carboxamide
PubChem CID31645422
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-methyl-4-oxo-3-propyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]phthalazine-1-carboxamide
SMILESCCCn1nc(C(=O)N(C)Cc2ccccc2N2CCCC2)c2ccccc2c1=O
InChIInChI=1S/C24H28N4O2/c1-3-14-28-23(29)20-12-6-5-11-19(20)22(25-28)24(30)26(2)17-18-10-4-7-13-21(18)27-15-8-9-16-27/h4-7,10-13H,3,8-9,14-17H2,1-2H3
InChIKeyZWAIANDWLYBXGR-UHFFFAOYSA-N
XLogP3.68
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxamide
CID 970816
2-(Cyclohexylmethyl)-5-pentylpyrazolo[4,3-c]quinolin-3-one
CID 118577937
2-((4-(Dimethylamino)benzylidene)amino)isoindoline-1,3-dione
CID 5388849
4-Methyl-2-phenyl-2H-phthalazin-1-one
CID 245552
2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(4-methylphenyl)acetamide
CID 600118
N-(4-ethylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 756039
3-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)phthalazine-1-carboxamide
CID 2714733
3-benzyl-N-methyl-4-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]phthalazine-1-carboxamide
CID 4784122
3-benzyl-N,N-diethyl-4-oxophthalazine-1-carboxamide
CID 8778606
N'-[1-(4-aminophenyl)ethylidene]-3-(2-oxo-1-pyrrolidinyl)benzohydrazide
CID 9585520
3-(2-oxo-1-pyrrolidinyl)-N'-(1-phenylethylidene)benzohydrazide
CID 9590201
N-(2,4-dimethylphenyl)-2-(4-methyl-1-oxophthalazin-2(1H)-yl)acetamide
CID 648380

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-oxo-3-propyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]phthalazine-1-carboxamide?
The IUPAC name of N-methyl-4-oxo-3-propyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]phthalazine-1-carboxamide (CID 31645422) is N-methyl-4-oxo-3-propyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]phthalazine-1-carboxamide.
What is the SMILES notation for N-methyl-4-oxo-3-propyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]phthalazine-1-carboxamide?
The canonical SMILES for N-methyl-4-oxo-3-propyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]phthalazine-1-carboxamide is CCCn1nc(C(=O)N(C)Cc2ccccc2N2CCCC2)c2ccccc2c1=O.
What is the InChIKey of N-methyl-4-oxo-3-propyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]phthalazine-1-carboxamide?
The InChIKey is ZWAIANDWLYBXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-3-14-28-23(29)20-12-6-5-11-19(20)22(25-28)24(30)26(2)17-18-10-4-7-13-21(18)27-15-8-9-16-27/h4-7,10-13H,3,8-9,14-17H2,1-2H3.
What are the key properties of N-methyl-4-oxo-3-propyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]phthalazine-1-carboxamide?
N-methyl-4-oxo-3-propyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]phthalazine-1-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-oxo-3-propyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]phthalazine-1-carboxamide is sourced from PubChem (CID 31645422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).