N,N-dimethyl-6-(4-phenylmethoxypiperidin-1-yl)pyridazine-3-carboxamide

C19H24N4O2 — CID 136547748

IUPACN,N-dimethyl-6-(4-phenylmethoxypiperidin-1-yl)pyridazine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(N2CCC(OCc3ccccc3)CC2)nn1
InChIInChI=1S/C19H24N4O2/c1-22(2)19(24)17-8-9-18(21-20-17)23-12-10-16(11-13-23)25-14-15-6-4-3-5-7-15/h3-9,16H,10-14H2,1-2H3
InChIKeyORDMJCGTFSBKPD-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.36
Rot. Bonds5

About N,N-dimethyl-6-(4-phenylmethoxypiperidin-1-yl)pyridazine-3-carboxamide

N,N-dimethyl-6-(4-phenylmethoxypiperidin-1-yl)pyridazine-3-carboxamide (PubChem CID 136547748) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N,N-dimethyl-6-(4-phenylmethoxypiperidin-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-(4-phenylmethoxypiperidin-1-yl)pyridazine-3-carboxamide
PubChem CID136547748
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN,N-dimethyl-6-(4-phenylmethoxypiperidin-1-yl)pyridazine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(N2CCC(OCc3ccccc3)CC2)nn1
InChIInChI=1S/C19H24N4O2/c1-22(2)19(24)17-8-9-18(21-20-17)23-12-10-16(11-13-23)25-14-15-6-4-3-5-7-15/h3-9,16H,10-14H2,1-2H3
InChIKeyORDMJCGTFSBKPD-UHFFFAOYSA-N
XLogP2.36
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(2-hydroxyethoxy)piperidin-1-yl]-N,N-dimethylpyridazine-3-carboxamide
CID 82684600
N,N-dimethyl-6-[3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide
CID 115300830
6-[4-(benzimidazol-1-yl)piperidin-1-yl]-N,N-dimethylpyridazine-3-carboxamide
CID 166307167
N-benzyl-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 71778492
6-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109113164
methyl 2-(4-phenylmethoxypiperidin-1-yl)benzoate
CID 139942928
6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid
CID 20982966
6-(3-methoxypyrrolidin-1-yl)pyridazine-3-carboxylic acid
CID 103534319
2-(4-phenylmethoxypiperidin-1-yl)pyrimidine
CID 95811444
N-methyl-4-phenylmethoxypiperidine-1-carboxamide
CID 131216132
3-(4-methylsulfonylpiperazin-1-yl)-6-(4-phenylmethoxycyclohexyl)oxypyridazine
CID 66777758
4-(4-phenylmethoxypiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 120672848

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-(4-phenylmethoxypiperidin-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N,N-dimethyl-6-(4-phenylmethoxypiperidin-1-yl)pyridazine-3-carboxamide (CID 136547748) is N,N-dimethyl-6-(4-phenylmethoxypiperidin-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-(4-phenylmethoxypiperidin-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-6-(4-phenylmethoxypiperidin-1-yl)pyridazine-3-carboxamide is CN(C)C(=O)c1ccc(N2CCC(OCc3ccccc3)CC2)nn1.
What is the InChIKey of N,N-dimethyl-6-(4-phenylmethoxypiperidin-1-yl)pyridazine-3-carboxamide?
The InChIKey is ORDMJCGTFSBKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-22(2)19(24)17-8-9-18(21-20-17)23-12-10-16(11-13-23)25-14-15-6-4-3-5-7-15/h3-9,16H,10-14H2,1-2H3.
What are the key properties of N,N-dimethyl-6-(4-phenylmethoxypiperidin-1-yl)pyridazine-3-carboxamide?
N,N-dimethyl-6-(4-phenylmethoxypiperidin-1-yl)pyridazine-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-(4-phenylmethoxypiperidin-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 136547748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).