4-amino-N-[1-(4,5-dimethyl-6-phenylpyridazin-3-yl)piperidin-4-yl]-N-methylbenzamide

C25H29N5O — CID 70658290

IUPAC4-amino-N-[1-(4,5-dimethyl-6-phenylpyridazin-3-yl)piperidin-4-yl]-N-methylbenzamide
SMILESCc1c(-c2ccccc2)nnc(N2CCC(N(C)C(=O)c3ccc(N)cc3)CC2)c1C
InChIInChI=1S/C25H29N5O/c1-17-18(2)24(28-27-23(17)19-7-5-4-6-8-19)30-15-13-22(14-16-30)29(3)25(31)20-9-11-21(26)12-10-20/h4-12,22H,13-16,26H2,1-3H3
InChIKeyUVIWLVWZFNFUEJ-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.08
Rot. Bonds4

About 4-amino-N-[1-(4,5-dimethyl-6-phenylpyridazin-3-yl)piperidin-4-yl]-N-methylbenzamide

4-amino-N-[1-(4,5-dimethyl-6-phenylpyridazin-3-yl)piperidin-4-yl]-N-methylbenzamide (PubChem CID 70658290) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 4-amino-N-[1-(4,5-dimethyl-6-phenylpyridazin-3-yl)piperidin-4-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-[1-(4,5-dimethyl-6-phenylpyridazin-3-yl)piperidin-4-yl]-N-methylbenzamide
PubChem CID70658290
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name4-amino-N-[1-(4,5-dimethyl-6-phenylpyridazin-3-yl)piperidin-4-yl]-N-methylbenzamide
SMILESCc1c(-c2ccccc2)nnc(N2CCC(N(C)C(=O)c3ccc(N)cc3)CC2)c1C
InChIInChI=1S/C25H29N5O/c1-17-18(2)24(28-27-23(17)19-7-5-4-6-8-19)30-15-13-22(14-16-30)29(3)25(31)20-9-11-21(26)12-10-20/h4-12,22H,13-16,26H2,1-3H3
InChIKeyUVIWLVWZFNFUEJ-UHFFFAOYSA-N
XLogP4.08
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(4,5-dimethyl-6-phenylpyridazin-3-yl)piperidin-4-yl]-N-methylbenzamide?
The IUPAC name of 4-amino-N-[1-(4,5-dimethyl-6-phenylpyridazin-3-yl)piperidin-4-yl]-N-methylbenzamide (CID 70658290) is 4-amino-N-[1-(4,5-dimethyl-6-phenylpyridazin-3-yl)piperidin-4-yl]-N-methylbenzamide.
What is the SMILES notation for 4-amino-N-[1-(4,5-dimethyl-6-phenylpyridazin-3-yl)piperidin-4-yl]-N-methylbenzamide?
The canonical SMILES for 4-amino-N-[1-(4,5-dimethyl-6-phenylpyridazin-3-yl)piperidin-4-yl]-N-methylbenzamide is Cc1c(-c2ccccc2)nnc(N2CCC(N(C)C(=O)c3ccc(N)cc3)CC2)c1C.
What is the InChIKey of 4-amino-N-[1-(4,5-dimethyl-6-phenylpyridazin-3-yl)piperidin-4-yl]-N-methylbenzamide?
The InChIKey is UVIWLVWZFNFUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-17-18(2)24(28-27-23(17)19-7-5-4-6-8-19)30-15-13-22(14-16-30)29(3)25(31)20-9-11-21(26)12-10-20/h4-12,22H,13-16,26H2,1-3H3.
What are the key properties of 4-amino-N-[1-(4,5-dimethyl-6-phenylpyridazin-3-yl)piperidin-4-yl]-N-methylbenzamide?
4-amino-N-[1-(4,5-dimethyl-6-phenylpyridazin-3-yl)piperidin-4-yl]-N-methylbenzamide has a molecular weight of 415.54 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(4,5-dimethyl-6-phenylpyridazin-3-yl)piperidin-4-yl]-N-methylbenzamide is sourced from PubChem (CID 70658290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).