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

C26H26N5O+ — CID 7593425

IUPACN-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]naphthalene-1-carboxamide
SMILESC[NH+]1CCN(c2ccc(-c3ccc(NC(=O)c4cccc5ccccc45)cc3)nn2)CC1
InChIInChI=1S/C26H25N5O/c1-30-15-17-31(18-16-30)25-14-13-24(28-29-25)20-9-11-21(12-10-20)27-26(32)23-8-4-6-19-5-2-3-7-22(19)23/h2-14H,15-18H2,1H3,(H,27,32)/p+1
InChIKeyRGHRHAMTSFHIJV-UHFFFAOYSA-O
MW424.53 g/mol
LogP2.88
Rot. Bonds4

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

N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]naphthalene-1-carboxamide (PubChem CID 7593425) has the molecular formula C26H26N5O+ and a molecular weight of 424.53 g/mol. Its IUPAC name is N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]naphthalene-1-carboxamide
PubChem CID7593425
Molecular FormulaC26H26N5O+
Molecular Weight424.53 g/mol
Exact Mass424.21
IUPAC NameN-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]naphthalene-1-carboxamide
SMILESC[NH+]1CCN(c2ccc(-c3ccc(NC(=O)c4cccc5ccccc45)cc3)nn2)CC1
InChIInChI=1S/C26H25N5O/c1-30-15-17-31(18-16-30)25-14-13-24(28-29-25)20-9-11-21(12-10-20)27-26(32)23-8-4-6-19-5-2-3-7-22(19)23/h2-14H,15-18H2,1H3,(H,27,32)/p+1
InChIKeyRGHRHAMTSFHIJV-UHFFFAOYSA-O
XLogP2.88
TPSA62.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzamide
CID 7593450
2-fluoro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 7593284
2-bromo-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide
CID 41078004
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-naphthalen-1-ylacetamide
CID 43992248
2-benzoyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 121046314
2-ethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]naphthalene-1-carboxamide
CID 121046316
2-bromo-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 16800087
N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 7520795
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 41089339
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(trifluoromethyl)benzamide
CID 41077882
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 8670425
N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53098734

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]naphthalene-1-carboxamide (CID 7593425) is N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]naphthalene-1-carboxamide is C[NH+]1CCN(c2ccc(-c3ccc(NC(=O)c4cccc5ccccc45)cc3)nn2)CC1.
What is the InChIKey of N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]naphthalene-1-carboxamide?
The InChIKey is RGHRHAMTSFHIJV-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H25N5O/c1-30-15-17-31(18-16-30)25-14-13-24(28-29-25)20-9-11-21(12-10-20)27-26(32)23-8-4-6-19-5-2-3-7-22(19)23/h2-14H,15-18H2,1H3,(H,27,32)/p+1.
What are the key properties of N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]naphthalene-1-carboxamide?
N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]naphthalene-1-carboxamide has a molecular weight of 424.53 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 7593425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).