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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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).