N-[6-[2-[(4-benzylphthalazin-1-yl)amino]ethylamino]-3-pyridinyl]acetamide

C24H24N6O — CID 135268489

IUPACN-[6-[2-[(4-benzylphthalazin-1-yl)amino]ethylamino]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(NCCNc2nnc(Cc3ccccc3)c3ccccc23)nc1
InChIInChI=1S/C24H24N6O/c1-17(31)28-19-11-12-23(27-16-19)25-13-14-26-24-21-10-6-5-9-20(21)22(29-30-24)15-18-7-3-2-4-8-18/h2-12,16H,13-15H2,1H3,(H,25,27)(H,26,30)(H,28,31)
InChIKeyZMCOTYZODIISFP-UHFFFAOYSA-N
MW412.50 g/mol
LogP4.10
Rot. Bonds8

About N-[6-[2-[(4-benzylphthalazin-1-yl)amino]ethylamino]-3-pyridinyl]acetamide

N-[6-[2-[(4-benzylphthalazin-1-yl)amino]ethylamino]-3-pyridinyl]acetamide (PubChem CID 135268489) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is N-[6-[2-[(4-benzylphthalazin-1-yl)amino]ethylamino]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-[2-[(4-benzylphthalazin-1-yl)amino]ethylamino]-3-pyridinyl]acetamide
PubChem CID135268489
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC NameN-[6-[2-[(4-benzylphthalazin-1-yl)amino]ethylamino]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(NCCNc2nnc(Cc3ccccc3)c3ccccc23)nc1
InChIInChI=1S/C24H24N6O/c1-17(31)28-19-11-12-23(27-16-19)25-13-14-26-24-21-10-6-5-9-20(21)22(29-30-24)15-18-7-3-2-4-8-18/h2-12,16H,13-15H2,1H3,(H,25,27)(H,26,30)(H,28,31)
InChIKeyZMCOTYZODIISFP-UHFFFAOYSA-N
XLogP4.10
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[4-(pyridin-4-ylmethyl)phthalazin-1-yl]amino]phenyl]acetamide
CID 22741957
N-(4-benzylphthalazin-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 6411531
N-[6-(butylamino)-3-pyridinyl]acetamide
CID 113009439
N'-[4-[(2-methyl-4-pyridinyl)methyl]phthalazin-1-yl]-N-phenylethane-1,2-diamine
CID 135268106
N-[6-(3-methylbutylamino)-3-pyridinyl]-3-phenylpropanamide
CID 113015098
1-phenyl-3-[6-(propylamino)-3-pyridinyl]urea
CID 113009091
1-(4-benzylphthalazin-1-yl)-2-phenylhydrazine
CID 6412969
N-[6-(benzylamino)-3-pyridinyl]propanamide
CID 110178661
N-[6-(2-hydroxypropylamino)-3-pyridinyl]-2-phenylacetamide
CID 82022490
N-[4-(4-chloroanilino)-1-(pyridin-4-ylmethyl)phthalazin-6-yl]acetamide
CID 22741999
N-(3-acetamidophenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158260
3,4-dimethyl-N-[6-(2-phenylethylamino)-3-pyridinyl]benzamide
CID 113013026

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[(4-benzylphthalazin-1-yl)amino]ethylamino]-3-pyridinyl]acetamide?
The IUPAC name of N-[6-[2-[(4-benzylphthalazin-1-yl)amino]ethylamino]-3-pyridinyl]acetamide (CID 135268489) is N-[6-[2-[(4-benzylphthalazin-1-yl)amino]ethylamino]-3-pyridinyl]acetamide.
What is the SMILES notation for N-[6-[2-[(4-benzylphthalazin-1-yl)amino]ethylamino]-3-pyridinyl]acetamide?
The canonical SMILES for N-[6-[2-[(4-benzylphthalazin-1-yl)amino]ethylamino]-3-pyridinyl]acetamide is CC(=O)Nc1ccc(NCCNc2nnc(Cc3ccccc3)c3ccccc23)nc1.
What is the InChIKey of N-[6-[2-[(4-benzylphthalazin-1-yl)amino]ethylamino]-3-pyridinyl]acetamide?
The InChIKey is ZMCOTYZODIISFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-17(31)28-19-11-12-23(27-16-19)25-13-14-26-24-21-10-6-5-9-20(21)22(29-30-24)15-18-7-3-2-4-8-18/h2-12,16H,13-15H2,1H3,(H,25,27)(H,26,30)(H,28,31).
What are the key properties of N-[6-[2-[(4-benzylphthalazin-1-yl)amino]ethylamino]-3-pyridinyl]acetamide?
N-[6-[2-[(4-benzylphthalazin-1-yl)amino]ethylamino]-3-pyridinyl]acetamide has a molecular weight of 412.50 g/mol, XLogP of 4.10, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[(4-benzylphthalazin-1-yl)amino]ethylamino]-3-pyridinyl]acetamide is sourced from PubChem (CID 135268489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).