N-(6-cyclopropylpyridazin-3-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide

C20H25N5O — CID 127624784

IUPACN-(6-cyclopropylpyridazin-3-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)Nc3ccc(C4CC4)nn3)CC2)c1C
InChIInChI=1S/C20H25N5O/c1-14-4-3-5-18(15(14)2)24-10-12-25(13-11-24)20(26)21-19-9-8-17(22-23-19)16-6-7-16/h3-5,8-9,16H,6-7,10-13H2,1-2H3,(H,21,23,26)
InChIKeyAOQJMNQMAFVFFS-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.32
Rot. Bonds3

About N-(6-cyclopropylpyridazin-3-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide

N-(6-cyclopropylpyridazin-3-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide (PubChem CID 127624784) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(6-cyclopropylpyridazin-3-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(6-cyclopropylpyridazin-3-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
PubChem CID127624784
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN-(6-cyclopropylpyridazin-3-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)Nc3ccc(C4CC4)nn3)CC2)c1C
InChIInChI=1S/C20H25N5O/c1-14-4-3-5-18(15(14)2)24-10-12-25(13-11-24)20(26)21-19-9-8-17(22-23-19)16-6-7-16/h3-5,8-9,16H,6-7,10-13H2,1-2H3,(H,21,23,26)
InChIKeyAOQJMNQMAFVFFS-UHFFFAOYSA-N
XLogP3.32
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dimethylphenyl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 108812009
N-(cyclopropylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 25349553
N-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]oxolane-2-carboxamide
CID 113043707
N-(cyclopentylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 108902650
N-cyclohexyl-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
CID 108868301
4-(2,3-dimethylphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide;hydrochloride
CID 108813826
4-(2,3-dimethylphenyl)-N-thiophen-2-ylpiperazine-1-carboxamide;hydrochloride
CID 108889235
N-[(E)-2-cyclopropylprop-1-enyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 108915580
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[6-(propan-2-ylamino)pyridazin-3-yl]methanone
CID 109109462
N-(6-cyclopropylpyridazin-3-yl)-7,7-dimethyl-1-oxo-1,4-thiazepane-4-carboxamide
CID 126834188
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 93266197
4-(2,3-dimethylphenyl)-N-(4-pyrrol-1-ylphenyl)piperazine-1-carboxamide;hydrochloride
CID 108886876

Frequently Asked Questions

What is the IUPAC name of N-(6-cyclopropylpyridazin-3-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(6-cyclopropylpyridazin-3-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide (CID 127624784) is N-(6-cyclopropylpyridazin-3-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(6-cyclopropylpyridazin-3-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(6-cyclopropylpyridazin-3-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide is Cc1cccc(N2CCN(C(=O)Nc3ccc(C4CC4)nn3)CC2)c1C.
What is the InChIKey of N-(6-cyclopropylpyridazin-3-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide?
The InChIKey is AOQJMNQMAFVFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-14-4-3-5-18(15(14)2)24-10-12-25(13-11-24)20(26)21-19-9-8-17(22-23-19)16-6-7-16/h3-5,8-9,16H,6-7,10-13H2,1-2H3,(H,21,23,26).
What are the key properties of N-(6-cyclopropylpyridazin-3-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide?
N-(6-cyclopropylpyridazin-3-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyclopropylpyridazin-3-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 127624784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).