N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide

C23H25N5O2 — CID 56518374

IUPACN-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCN1CCN(c2ccccc2CNC(=O)c2ccc(=O)n(-c3ccccc3)n2)CC1
InChIInChI=1S/C23H25N5O2/c1-26-13-15-27(16-14-26)21-10-6-5-7-18(21)17-24-23(30)20-11-12-22(29)28(25-20)19-8-3-2-4-9-19/h2-12H,13-17H2,1H3,(H,24,30)
InChIKeyRBTSPBCFTHIVPE-UHFFFAOYSA-N
MW403.49 g/mol
LogP1.91
Rot. Bonds5

About N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide

N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 56518374) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID56518374
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC NameN-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCN1CCN(c2ccccc2CNC(=O)c2ccc(=O)n(-c3ccccc3)n2)CC1
InChIInChI=1S/C23H25N5O2/c1-26-13-15-27(16-14-26)21-10-6-5-7-18(21)17-24-23(30)20-11-12-22(29)28(25-20)19-8-3-2-4-9-19/h2-12H,13-17H2,1H3,(H,24,30)
InChIKeyRBTSPBCFTHIVPE-UHFFFAOYSA-N
XLogP1.91
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)-5-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazole-3-carboxamide
CID 56518380
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-diphenylacetamide
CID 56518010
3-ethyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxophthalazine-1-carboxamide
CID 56517242
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31855931
N-[2-(ethylamino)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 119508020
1-benzyl-3,5-dimethyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 56523307
6-oxo-1-phenylpyridazine-3-carboxylic acid
CID 16771713
1-benzyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide
CID 56517580
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-propan-2-ylsulfanylbenzamide
CID 56518359
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 55844382
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 56517039
N-[(2R)-2-(ethylamino)propyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 120653747

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide (CID 56518374) is N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide is CN1CCN(c2ccccc2CNC(=O)c2ccc(=O)n(-c3ccccc3)n2)CC1.
What is the InChIKey of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is RBTSPBCFTHIVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-26-13-15-27(16-14-26)21-10-6-5-7-18(21)17-24-23(30)20-11-12-22(29)28(25-20)19-8-3-2-4-9-19/h2-12H,13-17H2,1H3,(H,24,30).
What are the key properties of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 56518374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).