N-phenyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine

C20H16N4 — CID 6419386

IUPACN-phenyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine
SMILESc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
InChIInChI=1S/C20H16N4/c1-2-6-16(7-3-1)22-20-18-9-5-4-8-17(18)19(23-24-20)14-15-10-12-21-13-11-15/h1-13H,14H2,(H,22,24)
InChIKeyWFPYLUYNQSOURF-UHFFFAOYSA-N
MW312.38 g/mol
LogP4.36
Rot. Bonds4

About N-phenyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine

N-phenyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine (PubChem CID 6419386) has the molecular formula C20H16N4 and a molecular weight of 312.38 g/mol. Its IUPAC name is N-phenyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-phenyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine
PubChem CID6419386
Molecular FormulaC20H16N4
Molecular Weight312.38 g/mol
Exact Mass312.14
IUPAC NameN-phenyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine
SMILESc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
InChIInChI=1S/C20H16N4/c1-2-6-16(7-3-1)22-20-18-9-5-4-8-17(18)19(23-24-20)14-15-10-12-21-13-11-15/h1-13H,14H2,(H,22,24)
InChIKeyWFPYLUYNQSOURF-UHFFFAOYSA-N
XLogP4.36
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine?
The IUPAC name of N-phenyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine (CID 6419386) is N-phenyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine.
What is the SMILES notation for N-phenyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine?
The canonical SMILES for N-phenyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine is c1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1.
What is the InChIKey of N-phenyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine?
The InChIKey is WFPYLUYNQSOURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4/c1-2-6-16(7-3-1)22-20-18-9-5-4-8-17(18)19(23-24-20)14-15-10-12-21-13-11-15/h1-13H,14H2,(H,22,24).
What are the key properties of N-phenyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine?
N-phenyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine has a molecular weight of 312.38 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine is sourced from PubChem (CID 6419386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).