3-(6-methylpyridazin-3-yl)oxy-N-(3-phenylpropyl)pyrrolidine-1-carboxamide

C19H24N4O2 — CID 90638891

IUPAC3-(6-methylpyridazin-3-yl)oxy-N-(3-phenylpropyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(OC2CCN(C(=O)NCCCc3ccccc3)C2)nn1
InChIInChI=1S/C19H24N4O2/c1-15-9-10-18(22-21-15)25-17-11-13-23(14-17)19(24)20-12-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,17H,5,8,11-14H2,1H3,(H,20,24)
InChIKeyRMGMMMBSCJLBSP-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.58
Rot. Bonds6

About 3-(6-methylpyridazin-3-yl)oxy-N-(3-phenylpropyl)pyrrolidine-1-carboxamide

3-(6-methylpyridazin-3-yl)oxy-N-(3-phenylpropyl)pyrrolidine-1-carboxamide (PubChem CID 90638891) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-(6-methylpyridazin-3-yl)oxy-N-(3-phenylpropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(6-methylpyridazin-3-yl)oxy-N-(3-phenylpropyl)pyrrolidine-1-carboxamide
PubChem CID90638891
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name3-(6-methylpyridazin-3-yl)oxy-N-(3-phenylpropyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(OC2CCN(C(=O)NCCCc3ccccc3)C2)nn1
InChIInChI=1S/C19H24N4O2/c1-15-9-10-18(22-21-15)25-17-11-13-23(14-17)19(24)20-12-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,17H,5,8,11-14H2,1H3,(H,20,24)
InChIKeyRMGMMMBSCJLBSP-UHFFFAOYSA-N
XLogP2.58
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90638896
3-(4,6-dimethylpyrimidin-2-yl)oxy-N-(3-phenylpropyl)piperidine-1-carboxamide
CID 122258099
3-(2,6-dimethylpyrimidin-4-yl)oxy-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 126854667
N-benzyl-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide
CID 91627623
N-cyclopentyl-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90638897
N-(2-methoxyphenyl)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90638861
(3S)-N-(2-phenylethyl)-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide
CID 164630557
[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-phenylmethanone
CID 72717309
(2S)-1-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-phenoxypropan-1-one
CID 100626242
1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032265
3-[(6-methyl-2-pyridinyl)oxy]-N-(2-phenylethyl)azetidine-1-carboxamide
CID 122249689
2-ethoxy-1-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]ethanone
CID 91627331

Frequently Asked Questions

What is the IUPAC name of 3-(6-methylpyridazin-3-yl)oxy-N-(3-phenylpropyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(6-methylpyridazin-3-yl)oxy-N-(3-phenylpropyl)pyrrolidine-1-carboxamide (CID 90638891) is 3-(6-methylpyridazin-3-yl)oxy-N-(3-phenylpropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(6-methylpyridazin-3-yl)oxy-N-(3-phenylpropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(6-methylpyridazin-3-yl)oxy-N-(3-phenylpropyl)pyrrolidine-1-carboxamide is Cc1ccc(OC2CCN(C(=O)NCCCc3ccccc3)C2)nn1.
What is the InChIKey of 3-(6-methylpyridazin-3-yl)oxy-N-(3-phenylpropyl)pyrrolidine-1-carboxamide?
The InChIKey is RMGMMMBSCJLBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-15-9-10-18(22-21-15)25-17-11-13-23(14-17)19(24)20-12-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,17H,5,8,11-14H2,1H3,(H,20,24).
What are the key properties of 3-(6-methylpyridazin-3-yl)oxy-N-(3-phenylpropyl)pyrrolidine-1-carboxamide?
3-(6-methylpyridazin-3-yl)oxy-N-(3-phenylpropyl)pyrrolidine-1-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylpyridazin-3-yl)oxy-N-(3-phenylpropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 90638891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).