N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-4-phenoxybenzamide

C21H23N5O2 — CID 122320804

IUPACN-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-4-phenoxybenzamide
SMILESCN(C)c1cnnc(NCCNC(=O)c2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C21H23N5O2/c1-26(2)17-14-20(25-24-15-17)22-12-13-23-21(27)16-8-10-19(11-9-16)28-18-6-4-3-5-7-18/h3-11,14-15H,12-13H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyHHMXMLPSXJMWKR-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.18
Rot. Bonds8

About N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-4-phenoxybenzamide

N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-4-phenoxybenzamide (PubChem CID 122320804) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-4-phenoxybenzamide
PubChem CID122320804
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-4-phenoxybenzamide
SMILESCN(C)c1cnnc(NCCNC(=O)c2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C21H23N5O2/c1-26(2)17-14-20(25-24-15-17)22-12-13-23-21(27)16-8-10-19(11-9-16)28-18-6-4-3-5-7-18/h3-11,14-15H,12-13H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyHHMXMLPSXJMWKR-UHFFFAOYSA-N
XLogP3.18
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-(2-methoxyphenyl)acetamide
CID 122320823
N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2,3,4-trifluorobenzamide
CID 122320842
N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 122320799
N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 122320883
4-phenoxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 122307431
tert-butyl N-[2-[(4-phenoxybenzoyl)amino]ethyl]carbamate
CID 16735191
N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-phenoxybenzamide
CID 122324616
1-(2,3-dimethoxyphenyl)-3-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]urea
CID 122320985
N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]oxane-4-carboxamide
CID 122320825
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-phenoxybenzenesulfonamide
CID 122321888
N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 122320851

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-4-phenoxybenzamide?
The IUPAC name of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-4-phenoxybenzamide (CID 122320804) is N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-4-phenoxybenzamide.
What is the SMILES notation for N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-4-phenoxybenzamide?
The canonical SMILES for N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-4-phenoxybenzamide is CN(C)c1cnnc(NCCNC(=O)c2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-4-phenoxybenzamide?
The InChIKey is HHMXMLPSXJMWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-26(2)17-14-20(25-24-15-17)22-12-13-23-21(27)16-8-10-19(11-9-16)28-18-6-4-3-5-7-18/h3-11,14-15H,12-13H2,1-2H3,(H,22,25)(H,23,27).
What are the key properties of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-4-phenoxybenzamide?
N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-4-phenoxybenzamide has a molecular weight of 377.45 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-4-phenoxybenzamide is sourced from PubChem (CID 122320804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).