6-[3-(4-fluorophenoxy)propylamino]-N-methylpyridazine-3-carboxamide

C15H17FN4O2 — CID 133329134

IUPAC6-[3-(4-fluorophenoxy)propylamino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCCCOc2ccc(F)cc2)nn1
InChIInChI=1S/C15H17FN4O2/c1-17-15(21)13-7-8-14(20-19-13)18-9-2-10-22-12-5-3-11(16)4-6-12/h3-8H,2,9-10H2,1H3,(H,17,21)(H,18,20)
InChIKeyXXKRGHAQDASVKF-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.86
Rot. Bonds7

About 6-[3-(4-fluorophenoxy)propylamino]-N-methylpyridazine-3-carboxamide

6-[3-(4-fluorophenoxy)propylamino]-N-methylpyridazine-3-carboxamide (PubChem CID 133329134) has the molecular formula C15H17FN4O2 and a molecular weight of 304.33 g/mol. Its IUPAC name is 6-[3-(4-fluorophenoxy)propylamino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(4-fluorophenoxy)propylamino]-N-methylpyridazine-3-carboxamide
PubChem CID133329134
Molecular FormulaC15H17FN4O2
Molecular Weight304.33 g/mol
Exact Mass304.13
IUPAC Name6-[3-(4-fluorophenoxy)propylamino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCCCOc2ccc(F)cc2)nn1
InChIInChI=1S/C15H17FN4O2/c1-17-15(21)13-7-8-14(20-19-13)18-9-2-10-22-12-5-3-11(16)4-6-12/h3-8H,2,9-10H2,1H3,(H,17,21)(H,18,20)
InChIKeyXXKRGHAQDASVKF-UHFFFAOYSA-N
XLogP1.86
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(3-butoxypropylamino)-N-methylpyridazine-3-carboxamide
CID 115669013
N-methyl-6-(2-pyridin-3-yloxyethylamino)pyridazine-3-carboxamide
CID 133339567
6-(4-hydroxybutylamino)-N-methylpyridazine-3-carboxamide
CID 106842680
6-[2-(2-methoxyethoxy)ethylamino]-N-methylpyridazine-3-carboxamide
CID 79207000
6-[2-(4-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114295
6-[4-(dimethylamino)butylamino]-N-methylpyridazine-3-carboxamide
CID 79207291
6-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propylamino]-N-methylpyridazine-3-carboxamide
CID 133464990
6-[2-(4-methoxyphenyl)ethylamino]-N-methylpyridazine-3-carboxamide
CID 79005945
N-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridazine-3-carboxamide
CID 103718413
6-[3-[(3-fluorobenzoyl)amino]propylamino]-N-methylpyridazine-3-carboxamide
CID 133339227
6-(3-ethylsulfanylpropylamino)-N-methylpyridazine-3-carboxamide
CID 114248384
6-[(5-hydroxy-4-methylpentyl)amino]-N-methylpyridazine-3-carboxamide
CID 103858516

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-fluorophenoxy)propylamino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[3-(4-fluorophenoxy)propylamino]-N-methylpyridazine-3-carboxamide (CID 133329134) is 6-[3-(4-fluorophenoxy)propylamino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[3-(4-fluorophenoxy)propylamino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[3-(4-fluorophenoxy)propylamino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(NCCCOc2ccc(F)cc2)nn1.
What is the InChIKey of 6-[3-(4-fluorophenoxy)propylamino]-N-methylpyridazine-3-carboxamide?
The InChIKey is XXKRGHAQDASVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2/c1-17-15(21)13-7-8-14(20-19-13)18-9-2-10-22-12-5-3-11(16)4-6-12/h3-8H,2,9-10H2,1H3,(H,17,21)(H,18,20).
What are the key properties of 6-[3-(4-fluorophenoxy)propylamino]-N-methylpyridazine-3-carboxamide?
6-[3-(4-fluorophenoxy)propylamino]-N-methylpyridazine-3-carboxamide has a molecular weight of 304.33 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-fluorophenoxy)propylamino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 133329134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).