N-(2,4-dimethylphenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide

C23H32N6O — CID 122336021

IUPACN-(2,4-dimethylphenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3ccc(N4CCC(C)CC4)nn3)CC2)c(C)c1
InChIInChI=1S/C23H32N6O/c1-17-8-10-27(11-9-17)21-6-7-22(26-25-21)28-12-14-29(15-13-28)23(30)24-20-5-4-18(2)16-19(20)3/h4-7,16-17H,8-15H2,1-3H3,(H,24,30)
InChIKeyNFEHNODHJIRXOG-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.68
Rot. Bonds3

About N-(2,4-dimethylphenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide

N-(2,4-dimethylphenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide (PubChem CID 122336021) has the molecular formula C23H32N6O and a molecular weight of 408.55 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
PubChem CID122336021
Molecular FormulaC23H32N6O
Molecular Weight408.55 g/mol
Exact Mass408.26
IUPAC NameN-(2,4-dimethylphenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3ccc(N4CCC(C)CC4)nn3)CC2)c(C)c1
InChIInChI=1S/C23H32N6O/c1-17-8-10-27(11-9-17)21-6-7-22(26-25-21)28-12-14-29(15-13-28)23(30)24-20-5-4-18(2)16-19(20)3/h4-7,16-17H,8-15H2,1-3H3,(H,24,30)
InChIKeyNFEHNODHJIRXOG-UHFFFAOYSA-N
XLogP3.68
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethylphenyl)-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 56921024
N-(4-chlorophenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122336002
N-(2,4-dimethylphenyl)-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]piperazine-1-carboxamide
CID 46335237
N-(2,4-dimethylphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364166
N-(2,4-dimethylphenyl)-4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-1-carboxamide
CID 121032031
N-(2,4-dimethylphenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56921853
4-(3,5-dichloro-4-pyridinyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide
CID 23827340
N-(2,4-dimethylphenyl)-4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazine-1-carboxamide
CID 53047710
N-(2,4-dimethylphenyl)-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazine-1-carboxamide
CID 53189520
N-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113111479
N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334278
2-[1-[(2,4-dimethylphenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62690811

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide (CID 122336021) is N-(2,4-dimethylphenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(c3ccc(N4CCC(C)CC4)nn3)CC2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide?
The InChIKey is NFEHNODHJIRXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O/c1-17-8-10-27(11-9-17)21-6-7-22(26-25-21)28-12-14-29(15-13-28)23(30)24-20-5-4-18(2)16-19(20)3/h4-7,16-17H,8-15H2,1-3H3,(H,24,30).
What are the key properties of N-(2,4-dimethylphenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide?
N-(2,4-dimethylphenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 122336021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).