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

C22H30N6O2 — CID 122335713

IUPACN-(3-methoxyphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(c3ccc(N4CCCCC4C)nn3)CC2)c1
InChIInChI=1S/C22H30N6O2/c1-17-6-3-4-11-28(17)21-10-9-20(24-25-21)26-12-14-27(15-13-26)22(29)23-18-7-5-8-19(16-18)30-2/h5,7-10,16-17H,3-4,6,11-15H2,1-2H3,(H,23,29)
InChIKeyNVWBXIJWJRKLKS-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.22
Rot. Bonds4

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

N-(3-methoxyphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide (PubChem CID 122335713) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
PubChem CID122335713
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC NameN-(3-methoxyphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(c3ccc(N4CCCCC4C)nn3)CC2)c1
InChIInChI=1S/C22H30N6O2/c1-17-6-3-4-11-28(17)21-10-9-20(24-25-21)26-12-14-27(15-13-26)22(29)23-18-7-5-8-19(16-18)30-2/h5,7-10,16-17H,3-4,6,11-15H2,1-2H3,(H,23,29)
InChIKeyNVWBXIJWJRKLKS-UHFFFAOYSA-N
XLogP3.22
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethylphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335737
N-(3,5-difluorophenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335723
N-(4-ethoxyphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335735
N-(3-fluoro-4-methylphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335740
4-[6-(ethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 122350638
4-[6-(diethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 122335422
4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 16812679
4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide
CID 122335991
1-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053393
2-(3-methylphenoxy)-1-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122335790
N-(3-methoxyphenyl)-4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazine-1-carboxamide
CID 22585362
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide (CID 122335713) is N-(3-methoxyphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide is COc1cccc(NC(=O)N2CCN(c3ccc(N4CCCCC4C)nn3)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide?
The InChIKey is NVWBXIJWJRKLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2/c1-17-6-3-4-11-28(17)21-10-9-20(24-25-21)26-12-14-27(15-13-26)22(29)23-18-7-5-8-19(16-18)30-2/h5,7-10,16-17H,3-4,6,11-15H2,1-2H3,(H,23,29).
What are the key properties of N-(3-methoxyphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide?
N-(3-methoxyphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 122335713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).