N,6-dimethyl-4-oxo-1-phenyl-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide

C25H28N4O2 — CID 31796540

IUPACN,6-dimethyl-4-oxo-1-phenyl-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(C)Cc2ccccc2N2CCCCC2)nn1-c1ccccc1
InChIInChI=1S/C25H28N4O2/c1-19-17-23(30)24(26-29(19)21-12-5-3-6-13-21)25(31)27(2)18-20-11-7-8-14-22(20)28-15-9-4-10-16-28/h3,5-8,11-14,17H,4,9-10,15-16,18H2,1-2H3
InChIKeyPOPJGUPDTZIFCZ-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.80
Rot. Bonds5

About N,6-dimethyl-4-oxo-1-phenyl-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide

N,6-dimethyl-4-oxo-1-phenyl-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide (PubChem CID 31796540) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N,6-dimethyl-4-oxo-1-phenyl-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-4-oxo-1-phenyl-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide
PubChem CID31796540
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN,6-dimethyl-4-oxo-1-phenyl-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(C)Cc2ccccc2N2CCCCC2)nn1-c1ccccc1
InChIInChI=1S/C25H28N4O2/c1-19-17-23(30)24(26-29(19)21-12-5-3-6-13-21)25(31)27(2)18-20-11-7-8-14-22(20)28-15-9-4-10-16-28/h3,5-8,11-14,17H,4,9-10,15-16,18H2,1-2H3
InChIKeyPOPJGUPDTZIFCZ-UHFFFAOYSA-N
XLogP3.80
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-N,6-dimethyl-4-oxo-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide
CID 24551624
N-benzyl-N,6-dimethyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 27666115
4-methoxy-N-methyl-1-phenyl-N-[(2-piperidin-1-ylphenyl)methyl]pyrazole-3-carboxamide
CID 24551581
3-(azepane-1-carbonyl)-6-methyl-1-phenylpyridazin-4-one
CID 8869762
1-(2-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43154900
6-methyl-4-oxo-1-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide
CID 9143796
N,3,4-trimethyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
CID 22109708
N-[(2,4-dimethylphenyl)methyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 18117120
6-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxo-1-phenylpyridazine-3-carboxamide
CID 51238820
N-methyl-4-oxo-3-propyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]phthalazine-1-carboxamide
CID 31645422
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrimidine-5-carboxamide
CID 75484966
2-[methyl-(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)amino]propanoic acid
CID 119358300

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-4-oxo-1-phenyl-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide?
The IUPAC name of N,6-dimethyl-4-oxo-1-phenyl-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide (CID 31796540) is N,6-dimethyl-4-oxo-1-phenyl-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for N,6-dimethyl-4-oxo-1-phenyl-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for N,6-dimethyl-4-oxo-1-phenyl-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)N(C)Cc2ccccc2N2CCCCC2)nn1-c1ccccc1.
What is the InChIKey of N,6-dimethyl-4-oxo-1-phenyl-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide?
The InChIKey is POPJGUPDTZIFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-19-17-23(30)24(26-29(19)21-12-5-3-6-13-21)25(31)27(2)18-20-11-7-8-14-22(20)28-15-9-4-10-16-28/h3,5-8,11-14,17H,4,9-10,15-16,18H2,1-2H3.
What are the key properties of N,6-dimethyl-4-oxo-1-phenyl-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide?
N,6-dimethyl-4-oxo-1-phenyl-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-4-oxo-1-phenyl-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 31796540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).