N-[2-(4-methoxyphenoxy)ethyl]-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide

C20H26N4O3 — CID 109124665

IUPACN-[2-(4-methoxyphenoxy)ethyl]-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2ccc(N3CCCC(C)C3)nn2)cc1
InChIInChI=1S/C20H26N4O3/c1-15-4-3-12-24(14-15)19-10-9-18(22-23-19)20(25)21-11-13-27-17-7-5-16(26-2)6-8-17/h5-10,15H,3-4,11-14H2,1-2H3,(H,21,25)
InChIKeyXGAWQWUVPBAHTI-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.53
Rot. Bonds7

About N-[2-(4-methoxyphenoxy)ethyl]-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide

N-[2-(4-methoxyphenoxy)ethyl]-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide (PubChem CID 109124665) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
PubChem CID109124665
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2ccc(N3CCCC(C)C3)nn2)cc1
InChIInChI=1S/C20H26N4O3/c1-15-4-3-12-24(14-15)19-10-9-18(22-23-19)20(25)21-11-13-27-17-7-5-16(26-2)6-8-17/h5-10,15H,3-4,11-14H2,1-2H3,(H,21,25)
InChIKeyXGAWQWUVPBAHTI-UHFFFAOYSA-N
XLogP2.53
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109117891
N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109372214
N-[2-(4-methoxyphenyl)ethyl]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109159052
2-(4-methoxyphenyl)-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113045038
N-butan-2-yl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109111616
N-tert-butyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109124840
6-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide
CID 109124661
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxamide
CID 121071116
N-[2-(4-methoxyphenoxy)ethyl]-6-pyrrolidin-1-ylpyridine-2-carboxamide
CID 84573585
ethyl 6-[(3S)-3-methylpiperidin-1-yl]pyridazine-3-carboxylate
CID 129495548
N,N-diethyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109124404
N-(2-ethoxyphenyl)-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109125972

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide (CID 109124665) is N-[2-(4-methoxyphenoxy)ethyl]-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide is COc1ccc(OCCNC(=O)c2ccc(N3CCCC(C)C3)nn2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide?
The InChIKey is XGAWQWUVPBAHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-15-4-3-12-24(14-15)19-10-9-18(22-23-19)20(25)21-11-13-27-17-7-5-16(26-2)6-8-17/h5-10,15H,3-4,11-14H2,1-2H3,(H,21,25).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide?
N-[2-(4-methoxyphenoxy)ethyl]-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 109124665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).