N-(3,5-dimethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide

C21H28N6O — CID 122334290

IUPACN-(3,5-dimethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
SMILESCc1cc(C)cc(NC(=O)N2CCN(c3ccc(N4CCCC4)nn3)CC2)c1
InChIInChI=1S/C21H28N6O/c1-16-13-17(2)15-18(14-16)22-21(28)27-11-9-26(10-12-27)20-6-5-19(23-24-20)25-7-3-4-8-25/h5-6,13-15H,3-4,7-12H2,1-2H3,(H,22,28)
InChIKeyLHLLQNDYFMQICI-UHFFFAOYSA-N
MW380.50 g/mol
LogP3.05
Rot. Bonds3

About N-(3,5-dimethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide

N-(3,5-dimethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide (PubChem CID 122334290) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
PubChem CID122334290
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC NameN-(3,5-dimethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
SMILESCc1cc(C)cc(NC(=O)N2CCN(c3ccc(N4CCCC4)nn3)CC2)c1
InChIInChI=1S/C21H28N6O/c1-16-13-17(2)15-18(14-16)22-21(28)27-11-9-26(10-12-27)20-6-5-19(23-24-20)25-7-3-4-8-25/h5-6,13-15H,3-4,7-12H2,1-2H3,(H,22,28)
InChIKeyLHLLQNDYFMQICI-UHFFFAOYSA-N
XLogP3.05
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334278
4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 122334859
N-(3,5-dimethylphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335737
N-(3,5-dimethylphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 47001350
N-(4-ethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334280
N-(3-chlorophenyl)-4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334555
N-(3,5-dimethylphenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 23605252
N-(1,3-benzodioxol-5-yl)-4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334562
4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 122336600
N-(3,5-difluorophenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335723
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334296
N-(3,5-difluorophenyl)-4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 50753236

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide (CID 122334290) is N-(3,5-dimethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide is Cc1cc(C)cc(NC(=O)N2CCN(c3ccc(N4CCCC4)nn3)CC2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide?
The InChIKey is LHLLQNDYFMQICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-16-13-17(2)15-18(14-16)22-21(28)27-11-9-26(10-12-27)20-6-5-19(23-24-20)25-7-3-4-8-25/h5-6,13-15H,3-4,7-12H2,1-2H3,(H,22,28).
What are the key properties of N-(3,5-dimethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide?
N-(3,5-dimethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide has a molecular weight of 380.50 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 122334290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).