N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide

C26H30N4O2 — CID 55844382

IUPACN-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCC1CC(C)CN(Cc2ccc(CNC(=O)c3ccc(=O)n(-c4ccccc4)n3)cc2)C1
InChIInChI=1S/C26H30N4O2/c1-19-14-20(2)17-29(16-19)18-22-10-8-21(9-11-22)15-27-26(32)24-12-13-25(31)30(28-24)23-6-4-3-5-7-23/h3-13,19-20H,14-18H2,1-2H3,(H,27,32)
InChIKeyOIZRPSSLETVMIM-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.64
Rot. Bonds6

About N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide

N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 55844382) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID55844382
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC NameN-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCC1CC(C)CN(Cc2ccc(CNC(=O)c3ccc(=O)n(-c4ccccc4)n3)cc2)C1
InChIInChI=1S/C26H30N4O2/c1-19-14-20(2)17-29(16-19)18-22-10-8-21(9-11-22)15-27-26(32)24-12-13-25(31)30(28-24)23-6-4-3-5-7-23/h3-13,19-20H,14-18H2,1-2H3,(H,27,32)
InChIKeyOIZRPSSLETVMIM-UHFFFAOYSA-N
XLogP3.64
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(4-fluorophenoxy)phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31966495
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31855931
1-(4-fluorophenyl)-6-oxo-N-[(4-phenoxyphenyl)methyl]pyridazine-3-carboxamide
CID 60622520
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 55797255
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-4-phenylbutanamide
CID 55742680
N-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-ethylsulfonylbenzamide
CID 52628153
cis-(1S,2R)-N-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 99845322
3-amino-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 119848746
N-[2-(ethylamino)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 119508020
1-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-6-oxopyridazine-3-carboxamide
CID 55728121
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 56518374
N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55632249

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide (CID 55844382) is N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide is CC1CC(C)CN(Cc2ccc(CNC(=O)c3ccc(=O)n(-c4ccccc4)n3)cc2)C1.
What is the InChIKey of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is OIZRPSSLETVMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-19-14-20(2)17-29(16-19)18-22-10-8-21(9-11-22)15-27-26(32)24-12-13-25(31)30(28-24)23-6-4-3-5-7-23/h3-13,19-20H,14-18H2,1-2H3,(H,27,32).
What are the key properties of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 55844382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).