N-(2-chloroethyl)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide

C12H17ClN4O2 — CID 90638896

IUPACN-(2-chloroethyl)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide
SMILESCc1ccc(OC2CCN(C(=O)NCCCl)C2)nn1
InChIInChI=1S/C12H17ClN4O2/c1-9-2-3-11(16-15-9)19-10-4-7-17(8-10)12(18)14-6-5-13/h2-3,10H,4-8H2,1H3,(H,14,18)
InChIKeyWCTJQTPAAUCRHH-UHFFFAOYSA-N
MW284.75 g/mol
LogP1.19
Rot. Bonds4

About N-(2-chloroethyl)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide

N-(2-chloroethyl)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide (PubChem CID 90638896) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is N-(2-chloroethyl)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide
PubChem CID90638896
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC NameN-(2-chloroethyl)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide
SMILESCc1ccc(OC2CCN(C(=O)NCCCl)C2)nn1
InChIInChI=1S/C12H17ClN4O2/c1-9-2-3-11(16-15-9)19-10-4-7-17(8-10)12(18)14-6-5-13/h2-3,10H,4-8H2,1H3,(H,14,18)
InChIKeyWCTJQTPAAUCRHH-UHFFFAOYSA-N
XLogP1.19
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(6-methylpyridazin-3-yl)oxy-N-(3-phenylpropyl)pyrrolidine-1-carboxamide
CID 90638891
N-cyclopentyl-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90638897
2-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
CID 110208245
3-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]propan-1-one
CID 110208246
2-ethoxy-1-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]ethanone
CID 91627331
N-(4-ethoxyphenyl)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90638864
(3,5-dimethylphenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90638646
3-methyl-6-(1-methylpyrrolidin-3-yl)oxypyridazine
CID 126953957
1-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]pent-4-en-1-one
CID 90638608
3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-(2-methoxyethyl)pyrrolidine-1-carboxamide
CID 90639804
N-(2-methoxyphenyl)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90638861
3-chloro-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one
CID 90639063

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide?
The IUPAC name of N-(2-chloroethyl)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide (CID 90638896) is N-(2-chloroethyl)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide is Cc1ccc(OC2CCN(C(=O)NCCCl)C2)nn1.
What is the InChIKey of N-(2-chloroethyl)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide?
The InChIKey is WCTJQTPAAUCRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c1-9-2-3-11(16-15-9)19-10-4-7-17(8-10)12(18)14-6-5-13/h2-3,10H,4-8H2,1H3,(H,14,18).
What are the key properties of N-(2-chloroethyl)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide?
N-(2-chloroethyl)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide has a molecular weight of 284.75 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide is sourced from PubChem (CID 90638896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).