N-(3-methoxyphenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine

C21H18N4O — CID 6625069

IUPACN-(3-methoxyphenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine
SMILESCOc1cccc(Nc2nnc(Cc3cccnc3)c3ccccc23)c1
InChIInChI=1S/C21H18N4O/c1-26-17-8-4-7-16(13-17)23-21-19-10-3-2-9-18(19)20(24-25-21)12-15-6-5-11-22-14-15/h2-11,13-14H,12H2,1H3,(H,23,25)
InChIKeyKTNZUKSXJFOXNK-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.37
Rot. Bonds5

About N-(3-methoxyphenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine

N-(3-methoxyphenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine (PubChem CID 6625069) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine
PubChem CID6625069
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC NameN-(3-methoxyphenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine
SMILESCOc1cccc(Nc2nnc(Cc3cccnc3)c3ccccc23)c1
InChIInChI=1S/C21H18N4O/c1-26-17-8-4-7-16(13-17)23-21-19-10-3-2-9-18(19)20(24-25-21)12-15-6-5-11-22-14-15/h2-11,13-14H,12H2,1H3,(H,23,25)
InChIKeyKTNZUKSXJFOXNK-UHFFFAOYSA-N
XLogP4.37
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-Methoxyanilino)-4-(4-pyridylmethyl)phthalazine
CID 6419390
1-(3-Hydroxyanilino)-4-(4-pyridylmethyl)phthalazine
CID 6419391
N-(4-chloro-3-methoxyphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
CID 6419393
N2-(3-methoxyphenyl)-N4-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 9902671
N1-(7-(4-methoxyphenyl)-1,6-naphthyridin-5-yl)propane-1,3-diamine
CID 10149633
(1S,3S)-N1-((1,3-dimethyl-1H-pyrazol-4-yl)methyl)-N3-(7-methoxy-4-methylquinolin-2-yl)cyclohexane-1,3-diamine
CID 11211551
N-(4-(3-(3-amino-1H-pyrazol-4-yl)pyridin-2-yloxy)phenyl)-4-p-tolylphthalazin-1-amine
CID 24855973
N-(3,4-dimethoxyphenyl)-2-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]acetamide
CID 46856026
N-(4-(3-(2-(Methylamino)pyrimidin-4-yl)pyridin-2-yloxy)phenyl)-4-phenylphthalazin-1-amine
CID 46929751
4-(4-Fluorophenyl)-N-(4-(3-(2-(methylamino)pyrimidin-4-yl)-pyridin-2-yloxy)phenyl)phthalazin-1-amine
CID 46929857
N-(3-methoxyphenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 57390292
N-(3-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 71296003

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine?
The IUPAC name of N-(3-methoxyphenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine (CID 6625069) is N-(3-methoxyphenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine?
The canonical SMILES for N-(3-methoxyphenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine is COc1cccc(Nc2nnc(Cc3cccnc3)c3ccccc23)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine?
The InChIKey is KTNZUKSXJFOXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-26-17-8-4-7-16(13-17)23-21-19-10-3-2-9-18(19)20(24-25-21)12-15-6-5-11-22-14-15/h2-11,13-14H,12H2,1H3,(H,23,25).
What are the key properties of N-(3-methoxyphenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine?
N-(3-methoxyphenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine has a molecular weight of 342.40 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine is sourced from PubChem (CID 6625069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).