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

C113H95N19O3 — CID 157329958

IUPAC4-(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
SMILESCC(=O)Nc1ccc(-c2nnc(NCc3ccccc3)c3c(-c4ccccc4)cccc23)cn1.CC(=O)c1cncc(-c2nnc(NCc3ccccc3)c3c(-c4ccccc4)cccc23)c1.CC(C)CC(=O)Nc1cncc(-c2nnc(NCc3ccccc3)c3c(-c4ccccc4)cccc23)c1.Nc1ccc(-c2nnc(NCc3ccccc3)c3c(-c4ccccc4)cccc23)cn1
InChIInChI=1S/C31H29N5O.C28H23N5O.C28H22N4O.C26H21N5/c1-21(2)16-28(37)34-25-17-24(19-32-20-25)30-27-15-9-14-26(23-12-7-4-8-13-23)29(27)31(36-35-30)33-18-22-10-5-3-6-11-22;1-19(34)31-25-16-15-22(18-29-25)27-24-14-8-13-23(21-11-6-3-7-12-21)26(24)28(33-32-27)30-17-20-9-4-2-5-10-20;1-19(33)22-15-23(18-29-17-22)27-25-14-8-13-24(21-11-6-3-7-12-21)26(25)28(32-31-27)30-16-20-9-4-2-5-10-20;27-23-15-14-20(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/h3-15,17,19-21H,16,18H2,1-2H3,(H,33,36)(H,34,37);2-16,18H,17H2,1H3,(H,30,33)(H,29,31,34);2-15,17-18H,16H2,1H3,(H,30,32);1-15,17H,16H2,(H2,27,28)(H,29,31)
InChIKeyBFEBJMJZMGMHMJ-UHFFFAOYSA-N
MW1767.13 g/mol
LogP24.61
Rot. Bonds25

About 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

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 (PubChem CID 157329958) has the molecular formula C113H95N19O3 and a molecular weight of 1767.13 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID157329958
Molecular FormulaC113H95N19O3
Molecular Weight1767.13 g/mol
Exact Mass1765.79
IUPAC Name4-(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
SMILESCC(=O)Nc1ccc(-c2nnc(NCc3ccccc3)c3c(-c4ccccc4)cccc23)cn1.CC(=O)c1cncc(-c2nnc(NCc3ccccc3)c3c(-c4ccccc4)cccc23)c1.CC(C)CC(=O)Nc1cncc(-c2nnc(NCc3ccccc3)c3c(-c4ccccc4)cccc23)c1.Nc1ccc(-c2nnc(NCc3ccccc3)c3c(-c4ccccc4)cccc23)cn1
InChIInChI=1S/C31H29N5O.C28H23N5O.C28H22N4O.C26H21N5/c1-21(2)16-28(37)34-25-17-24(19-32-20-25)30-27-15-9-14-26(23-12-7-4-8-13-23)29(27)31(36-35-30)33-18-22-10-5-3-6-11-22;1-19(34)31-25-16-15-22(18-29-25)27-24-14-8-13-23(21-11-6-3-7-12-21)26(24)28(33-32-27)30-17-20-9-4-2-5-10-20;1-19(33)22-15-23(18-29-17-22)27-25-14-8-13-24(21-11-6-3-7-12-21)26(25)28(32-31-27)30-16-20-9-4-2-5-10-20;27-23-15-14-20(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/h3-15,17,19-21H,16,18H2,1-2H3,(H,33,36)(H,34,37);2-16,18H,17H2,1H3,(H,30,33)(H,29,31,34);2-15,17-18H,16H2,1H3,(H,30,32);1-15,17H,16H2,(H2,27,28)(H,29,31)
InChIKeyBFEBJMJZMGMHMJ-UHFFFAOYSA-N
XLogP24.61
TPSA304.09 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds25
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001767.13
LogP ≤ 524.61
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Analyze 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 with MolForge

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Related Compounds

[5-[4-(benzylamino)-5-phenylphthalazin-1-yl]-3-pyridinyl]urea
CID 86270485
4-(6-amino-3-pyridinyl)-N-benzyl-8-phenylphthalazin-1-amine
CID 86267455
N-[5-[4-(benzylamino)-5-phenylphthalazin-1-yl]-3-pyridinyl]methanesulfonamide
CID 86270291
4-[5-(1-aminoethenyl)-3-pyridinyl]-8-phenyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine
CID 118679911
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
N-(2,3-dihydroxypropyl)-5-[5-phenyl-4-(pyridin-2-ylmethylamino)phthalazin-1-yl]pyridine-3-carboxamide
CID 90423672
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-[1-(benzylamino)-3-chloro-8-phenylisoquinolin-4-yl]pyridine-3-sulfonamide
CID 118659301
N-[5-[3-[4-(2-fluorophenyl)-3-methyl-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 137083787
N-benzyl-3-chloro-4-(5-methyl-3-pyridinyl)-8-phenylisoquinolin-1-amine
CID 144706407
5-[5-phenyl-4-[[(1R)-1-phenylethyl]amino]phthalazin-1-yl]pyridine-3-sulfonamide
CID 86268298
N-[5-[4-fluoro-3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 136942455

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)Nc1ccc(-c2nnc(NCc3ccccc3)c3c(-c4ccccc4)cccc23)cn1.CC(=O)c1cncc(-c2nnc(NCc3ccccc3)c3c(-c4ccccc4)cccc23)c1.CC(C)CC(=O)Nc1cncc(-c2nnc(NCc3ccccc3)c3c(-c4ccccc4)cccc23)c1.Nc1ccc(-c2nnc(NCc3ccccc3)c3c(-c4ccccc4)cccc23)cn1.
What is the InChIKey of 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?
The InChIKey is BFEBJMJZMGMHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N5O.C28H23N5O.C28H22N4O.C26H21N5/c1-21(2)16-28(37)34-25-17-24(19-32-20-25)30-27-15-9-14-26(23-12-7-4-8-13-23)29(27)31(36-35-30)33-18-22-10-5-3-6-11-22;1-19(34)31-25-16-15-22(18-29-25)27-24-14-8-13-23(21-11-6-3-7-12-21)26(24)28(33-32-27)30-17-20-9-4-2-5-10-20;1-19(33)22-15-23(18-29-17-22)27-25-14-8-13-24(21-11-6-3-7-12-21)26(25)28(32-31-27)30-16-20-9-4-2-5-10-20;27-23-15-14-20(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/h3-15,17,19-21H,16,18H2,1-2H3,(H,33,36)(H,34,37);2-16,18H,17H2,1H3,(H,30,33)(H,29,31,34);2-15,17-18H,16H2,1H3,(H,30,32);1-15,17H,16H2,(H2,27,28)(H,29,31).
What are the key properties of 4-(6-amino-3-pyridinyl)-N-benzyl-8-phenylphthalazin-1-amine;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?
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 has a molecular weight of 1767.13 g/mol, XLogP of 24.61, 25 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157329958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).