N-(3,5-dimethylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine

C22H20N4 — CID 6419394

IUPACN-(3,5-dimethylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
SMILESCc1cc(C)cc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1
InChIInChI=1S/C22H20N4/c1-15-11-16(2)13-18(12-15)24-22-20-6-4-3-5-19(20)21(25-26-22)14-17-7-9-23-10-8-17/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyQQJMEMQSYAOKGB-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.98
Rot. Bonds4

About N-(3,5-dimethylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine

N-(3,5-dimethylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine (PubChem CID 6419394) has the molecular formula C22H20N4 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
PubChem CID6419394
Molecular FormulaC22H20N4
Molecular Weight340.43 g/mol
Exact Mass340.17
IUPAC NameN-(3,5-dimethylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
SMILESCc1cc(C)cc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1
InChIInChI=1S/C22H20N4/c1-15-11-16(2)13-18(12-15)24-22-20-6-4-3-5-19(20)21(25-26-22)14-17-7-9-23-10-8-17/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyQQJMEMQSYAOKGB-UHFFFAOYSA-N
XLogP4.98
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine (CID 6419394) is N-(3,5-dimethylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine is Cc1cc(C)cc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine?
The InChIKey is QQJMEMQSYAOKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4/c1-15-11-16(2)13-18(12-15)24-22-20-6-4-3-5-19(20)21(25-26-22)14-17-7-9-23-10-8-17/h3-13H,14H2,1-2H3,(H,24,26).
What are the key properties of N-(3,5-dimethylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine?
N-(3,5-dimethylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine has a molecular weight of 340.43 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine is sourced from PubChem (CID 6419394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).