N-(3,5-dimethylphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide

C22H25N7O — CID 47001350

IUPACN-(3,5-dimethylphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
SMILESCc1cc(C)cc(NC(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)c1
InChIInChI=1S/C22H25N7O/c1-16-13-17(2)15-18(14-16)24-22(30)29-11-9-28(10-12-29)21-7-6-20(26-27-21)25-19-5-3-4-8-23-19/h3-8,13-15H,9-12H2,1-2H3,(H,24,30)(H,23,25,26)
InChIKeyOSWQYMJRBKNBRK-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.59
Rot. Bonds4

About N-(3,5-dimethylphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide

N-(3,5-dimethylphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide (PubChem CID 47001350) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
PubChem CID47001350
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC NameN-(3,5-dimethylphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
SMILESCc1cc(C)cc(NC(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)c1
InChIInChI=1S/C22H25N7O/c1-16-13-17(2)15-18(14-16)24-22(30)29-11-9-28(10-12-29)21-7-6-20(26-27-21)25-19-5-3-4-8-23-19/h3-8,13-15H,9-12H2,1-2H3,(H,24,30)(H,23,25,26)
InChIKeyOSWQYMJRBKNBRK-UHFFFAOYSA-N
XLogP3.59
TPSA86.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-difluorophenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 56700221
4-[6-(pyridin-2-ylamino)pyridazin-3-yl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 121064963
N-[3,5-bis(trifluoromethyl)phenyl]-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122347323
N-(4-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 47001201
4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]-N-phenylpiperazine-1-carboxamide
CID 56919619
N-(3,5-dimethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334290
4-[6-(pyridin-2-ylamino)pyridazin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide
CID 122347328
N-(3,4-dimethylphenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
CID 121064676
(5-methylpyrazin-2-yl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347475
N-(3-ethylphenyl)-4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
CID 56919468
N-(2-methoxyphenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
CID 42111702
2-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 56699859

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide (CID 47001350) is N-(3,5-dimethylphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide is Cc1cc(C)cc(NC(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide?
The InChIKey is OSWQYMJRBKNBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c1-16-13-17(2)15-18(14-16)24-22(30)29-11-9-28(10-12-29)21-7-6-20(26-27-21)25-19-5-3-4-8-23-19/h3-8,13-15H,9-12H2,1-2H3,(H,24,30)(H,23,25,26).
What are the key properties of N-(3,5-dimethylphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide?
N-(3,5-dimethylphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 47001350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).