6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridine-3-carboxamide

C25H24N6O — CID 25065064

IUPAC6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1
InChIInChI=1S/C25H24N6O/c26-24(32)19-10-11-23(27-17-19)30-12-14-31(15-13-30)25-21-9-5-4-8-20(21)22(28-29-25)16-18-6-2-1-3-7-18/h1-11,17H,12-16H2,(H2,26,32)
InChIKeyBXINLBSXEZUXRW-UHFFFAOYSA-N
MW424.51 g/mol
LogP3.04
Rot. Bonds5

About 6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridine-3-carboxamide

6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 25065064) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is 6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID25065064
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC Name6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1
InChIInChI=1S/C25H24N6O/c26-24(32)19-10-11-23(27-17-19)30-12-14-31(15-13-30)25-21-9-5-4-8-20(21)22(28-29-25)16-18-6-2-1-3-7-18/h1-11,17H,12-16H2,(H2,26,32)
InChIKeyBXINLBSXEZUXRW-UHFFFAOYSA-N
XLogP3.04
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridine-3-carboxamide (CID 25065064) is 6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridine-3-carboxamide is NC(=O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1.
What is the InChIKey of 6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is BXINLBSXEZUXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c26-24(32)19-10-11-23(27-17-19)30-12-14-31(15-13-30)25-21-9-5-4-8-20(21)22(28-29-25)16-18-6-2-1-3-7-18/h1-11,17H,12-16H2,(H2,26,32).
What are the key properties of 6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridine-3-carboxamide?
6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 424.51 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 25065064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).