4-(6-amino-3-pyridinyl)-N-benzyl-8-phenylphthalazin-1-amine

C26H21N5 — CID 86267455

IUPAC4-(6-amino-3-pyridinyl)-N-benzyl-8-phenylphthalazin-1-amine
SMILESNc1ccc(-c2nnc(NCc3ccccc3)c3c(-c4ccccc4)cccc23)cn1
InChIInChI=1S/C26H21N5/c27-23-15-14-20(17-28-23)25-22-13-7-12-21(19-10-5-2-6-11-19)24(22)26(31-30-25)29-16-18-8-3-1-4-9-18/h1-15,17H,16H2,(H2,27,28)(H,29,31)
InChIKeyNVCZHACLFAOCAL-UHFFFAOYSA-N
MW403.49 g/mol
LogP5.55
Rot. Bonds5

About 4-(6-amino-3-pyridinyl)-N-benzyl-8-phenylphthalazin-1-amine

4-(6-amino-3-pyridinyl)-N-benzyl-8-phenylphthalazin-1-amine (PubChem CID 86267455) has the molecular formula C26H21N5 and a molecular weight of 403.49 g/mol. Its IUPAC name is 4-(6-amino-3-pyridinyl)-N-benzyl-8-phenylphthalazin-1-amine.

Molecular Properties

Compound Name4-(6-amino-3-pyridinyl)-N-benzyl-8-phenylphthalazin-1-amine
PubChem CID86267455
Molecular FormulaC26H21N5
Molecular Weight403.49 g/mol
Exact Mass403.18
IUPAC Name4-(6-amino-3-pyridinyl)-N-benzyl-8-phenylphthalazin-1-amine
SMILESNc1ccc(-c2nnc(NCc3ccccc3)c3c(-c4ccccc4)cccc23)cn1
InChIInChI=1S/C26H21N5/c27-23-15-14-20(17-28-23)25-22-13-7-12-21(19-10-5-2-6-11-19)24(22)26(31-30-25)29-16-18-8-3-1-4-9-18/h1-15,17H,16H2,(H2,27,28)(H,29,31)
InChIKeyNVCZHACLFAOCAL-UHFFFAOYSA-N
XLogP5.55
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.49
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-amino-3-pyridinyl)-N-benzyl-8-phenylphthalazin-1-amine;N-[5-[4-(benzylamino)-5-phenylphthalazin-1-yl]-2-pyridinyl]acetamide;1-[5-[4-(benzylamino)-5-phenylphthalazin-1-yl]-3-pyridinyl]ethanone;N-[5-[4-(benzylamino)-5-phenylphthalazin-1-yl]-3-pyridinyl]-3-methylbutanamide
CID 157329958
[5-[4-(benzylamino)-5-phenylphthalazin-1-yl]-3-pyridinyl]urea
CID 86270485
N-[5-[4-(benzylamino)-5-phenylphthalazin-1-yl]-3-pyridinyl]methanesulfonamide
CID 86270291
4-(5-amino-3-pyridinyl)-N-benzyl-3-methyl-8-phenylisoquinolin-1-amine
CID 144706489
4-[5-(1-aminoethenyl)-3-pyridinyl]-8-phenyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine
CID 118679911
5-[1-(benzylamino)-3-chloro-8-phenylisoquinolin-4-yl]pyridine-3-sulfonamide
CID 118659301
N-benzyl-3-chloro-4-(5-methyl-3-pyridinyl)-8-phenylisoquinolin-1-amine
CID 144706407
4-phenyl-N-(pyridin-3-ylmethyl)phthalazin-1-amine
CID 6407566
N-benzyl-4-(5-methylsulfonyl-3-pyridinyl)-8-phenylphthalazin-1-amine;5-[4-[(2-methylphenyl)methylamino]-5-phenylphthalazin-1-yl]pyridine-3-sulfonamide;4-(5-methyl-3-pyridinyl)-8-phenyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine
CID 160673588
5-[4-[(2-methoxyphenyl)methylamino]-5-phenylphthalazin-1-yl]pyridine-3-sulfonamide
CID 86267259
N-benzyl-4-[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-8-phenylphthalazin-1-amine;4-chloro-1-[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-5-phenylphthalazine;1,4-dichloro-5-phenylphthalazine;2-[(2-methylpropan-2-yl)oxy]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 157293514
azane;ethyl 5-[5-phenyl-4-(pyridin-2-ylmethylamino)phthalazin-1-yl]pyridine-3-carboxylate;5-[5-phenyl-4-(pyridin-2-ylmethylamino)phthalazin-1-yl]pyridine-3-carboxamide
CID 161382134

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-3-pyridinyl)-N-benzyl-8-phenylphthalazin-1-amine?
The IUPAC name of 4-(6-amino-3-pyridinyl)-N-benzyl-8-phenylphthalazin-1-amine (CID 86267455) is 4-(6-amino-3-pyridinyl)-N-benzyl-8-phenylphthalazin-1-amine.
What is the SMILES notation for 4-(6-amino-3-pyridinyl)-N-benzyl-8-phenylphthalazin-1-amine?
The canonical SMILES for 4-(6-amino-3-pyridinyl)-N-benzyl-8-phenylphthalazin-1-amine is Nc1ccc(-c2nnc(NCc3ccccc3)c3c(-c4ccccc4)cccc23)cn1.
What is the InChIKey of 4-(6-amino-3-pyridinyl)-N-benzyl-8-phenylphthalazin-1-amine?
The InChIKey is NVCZHACLFAOCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5/c27-23-15-14-20(17-28-23)25-22-13-7-12-21(19-10-5-2-6-11-19)24(22)26(31-30-25)29-16-18-8-3-1-4-9-18/h1-15,17H,16H2,(H2,27,28)(H,29,31).
What are the key properties of 4-(6-amino-3-pyridinyl)-N-benzyl-8-phenylphthalazin-1-amine?
4-(6-amino-3-pyridinyl)-N-benzyl-8-phenylphthalazin-1-amine has a molecular weight of 403.49 g/mol, XLogP of 5.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-3-pyridinyl)-N-benzyl-8-phenylphthalazin-1-amine is sourced from PubChem (CID 86267455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).