N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide

C22H18N4O2 — CID 155501513

IUPACN-(5,6-dimethyl-4-phenyl-2-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESCc1nc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc(-c2ccccc2)c1C
InChIInChI=1S/C22H18N4O2/c1-13-14(2)23-19(12-18(13)15-8-4-3-5-9-15)24-22(28)20-16-10-6-7-11-17(16)21(27)26-25-20/h3-12H,1-2H3,(H,26,27)(H,23,24,28)
InChIKeyXYDWCHFQOHVZPB-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.85
Rot. Bonds3

About N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide

N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 155501513) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-4-phenyl-2-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID155501513
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC NameN-(5,6-dimethyl-4-phenyl-2-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESCc1nc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc(-c2ccccc2)c1C
InChIInChI=1S/C22H18N4O2/c1-13-14(2)23-19(12-18(13)15-8-4-3-5-9-15)24-22(28)20-16-10-6-7-11-17(16)21(27)26-25-20/h3-12H,1-2H3,(H,26,27)(H,23,24,28)
InChIKeyXYDWCHFQOHVZPB-UHFFFAOYSA-N
XLogP3.85
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide (CID 155501513) is N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide is Cc1nc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc(-c2ccccc2)c1C.
What is the InChIKey of N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is XYDWCHFQOHVZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-13-14(2)23-19(12-18(13)15-8-4-3-5-9-15)24-22(28)20-16-10-6-7-11-17(16)21(27)26-25-20/h3-12H,1-2H3,(H,26,27)(H,23,24,28).
What are the key properties of N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide?
N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 155501513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).