N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]naphthalene-2-carboxamide

C26H25N5O — CID 7593182

IUPACN-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]naphthalene-2-carboxamide
SMILESCN1CCN(c2ccc(-c3cccc(NC(=O)c4ccc5ccccc5c4)c3)nn2)CC1
InChIInChI=1S/C26H25N5O/c1-30-13-15-31(16-14-30)25-12-11-24(28-29-25)21-7-4-8-23(18-21)27-26(32)22-10-9-19-5-2-3-6-20(19)17-22/h2-12,17-18H,13-16H2,1H3,(H,27,32)
InChIKeyCVHOXUUPSXOTPM-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.30
Rot. Bonds4

About N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]naphthalene-2-carboxamide

N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]naphthalene-2-carboxamide (PubChem CID 7593182) has the molecular formula C26H25N5O and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]naphthalene-2-carboxamide
PubChem CID7593182
Molecular FormulaC26H25N5O
Molecular Weight423.52 g/mol
Exact Mass423.21
IUPAC NameN-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]naphthalene-2-carboxamide
SMILESCN1CCN(c2ccc(-c3cccc(NC(=O)c4ccc5ccccc5c4)c3)nn2)CC1
InChIInChI=1S/C26H25N5O/c1-30-13-15-31(16-14-30)25-12-11-24(28-29-25)21-7-4-8-23(18-21)27-26(32)22-10-9-19-5-2-3-6-20(19)17-22/h2-12,17-18H,13-16H2,1H3,(H,27,32)
InChIKeyCVHOXUUPSXOTPM-UHFFFAOYSA-N
XLogP4.30
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]naphthalene-2-carboxamide (CID 7593182) is N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]naphthalene-2-carboxamide is CN1CCN(c2ccc(-c3cccc(NC(=O)c4ccc5ccccc5c4)c3)nn2)CC1.
What is the InChIKey of N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]naphthalene-2-carboxamide?
The InChIKey is CVHOXUUPSXOTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O/c1-30-13-15-31(16-14-30)25-12-11-24(28-29-25)21-7-4-8-23(18-21)27-26(32)22-10-9-19-5-2-3-6-20(19)17-22/h2-12,17-18H,13-16H2,1H3,(H,27,32).
What are the key properties of N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]naphthalene-2-carboxamide?
N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]naphthalene-2-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 7593182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).