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

C20H16N4 — CID 6407566

IUPAC4-phenyl-N-(pyridin-3-ylmethyl)phthalazin-1-amine
SMILESc1ccc(-c2nnc(NCc3cccnc3)c3ccccc23)cc1
InChIInChI=1S/C20H16N4/c1-2-8-16(9-3-1)19-17-10-4-5-11-18(17)20(24-23-19)22-14-15-7-6-12-21-13-15/h1-13H,14H2,(H,22,24)
InChIKeySDAYLTIPFRSAEX-UHFFFAOYSA-N
MW312.38 g/mol
LogP4.30
Rot. Bonds4

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

4-phenyl-N-(pyridin-3-ylmethyl)phthalazin-1-amine (PubChem CID 6407566) has the molecular formula C20H16N4 and a molecular weight of 312.38 g/mol. Its IUPAC name is 4-phenyl-N-(pyridin-3-ylmethyl)phthalazin-1-amine.

Molecular Properties

Compound Name4-phenyl-N-(pyridin-3-ylmethyl)phthalazin-1-amine
PubChem CID6407566
Molecular FormulaC20H16N4
Molecular Weight312.38 g/mol
Exact Mass312.14
IUPAC Name4-phenyl-N-(pyridin-3-ylmethyl)phthalazin-1-amine
SMILESc1ccc(-c2nnc(NCc3cccnc3)c3ccccc23)cc1
InChIInChI=1S/C20H16N4/c1-2-8-16(9-3-1)19-17-10-4-5-11-18(17)20(24-23-19)22-14-15-7-6-12-21-13-15/h1-13H,14H2,(H,22,24)
InChIKeySDAYLTIPFRSAEX-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(pyridin-3-ylmethyl)phthalazin-1-amine?
The IUPAC name of 4-phenyl-N-(pyridin-3-ylmethyl)phthalazin-1-amine (CID 6407566) is 4-phenyl-N-(pyridin-3-ylmethyl)phthalazin-1-amine.
What is the SMILES notation for 4-phenyl-N-(pyridin-3-ylmethyl)phthalazin-1-amine?
The canonical SMILES for 4-phenyl-N-(pyridin-3-ylmethyl)phthalazin-1-amine is c1ccc(-c2nnc(NCc3cccnc3)c3ccccc23)cc1.
What is the InChIKey of 4-phenyl-N-(pyridin-3-ylmethyl)phthalazin-1-amine?
The InChIKey is SDAYLTIPFRSAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4/c1-2-8-16(9-3-1)19-17-10-4-5-11-18(17)20(24-23-19)22-14-15-7-6-12-21-13-15/h1-13H,14H2,(H,22,24).
What are the key properties of 4-phenyl-N-(pyridin-3-ylmethyl)phthalazin-1-amine?
4-phenyl-N-(pyridin-3-ylmethyl)phthalazin-1-amine has a molecular weight of 312.38 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(pyridin-3-ylmethyl)phthalazin-1-amine is sourced from PubChem (CID 6407566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).