(4-butylcyclohexyl)-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone

C20H31N3O3 — CID 90639058

IUPAC(4-butylcyclohexyl)-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
SMILESCCCCC1CCC(C(=O)N2CCC(Oc3ccc(OC)nn3)C2)CC1
InChIInChI=1S/C20H31N3O3/c1-3-4-5-15-6-8-16(9-7-15)20(24)23-13-12-17(14-23)26-19-11-10-18(25-2)21-22-19/h10-11,15-17H,3-9,12-14H2,1-2H3
InChIKeyDULYUBBICXTLAP-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.46
Rot. Bonds7

About (4-butylcyclohexyl)-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone

(4-butylcyclohexyl)-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone (PubChem CID 90639058) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is (4-butylcyclohexyl)-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-butylcyclohexyl)-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
PubChem CID90639058
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name(4-butylcyclohexyl)-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
SMILESCCCCC1CCC(C(=O)N2CCC(Oc3ccc(OC)nn3)C2)CC1
InChIInChI=1S/C20H31N3O3/c1-3-4-5-15-6-8-16(9-7-15)20(24)23-13-12-17(14-23)26-19-11-10-18(25-2)21-22-19/h10-11,15-17H,3-9,12-14H2,1-2H3
InChIKeyDULYUBBICXTLAP-UHFFFAOYSA-N
XLogP3.46
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-butylcyclohexyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636070
1-[4-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 100630799
(4-butylcyclohexyl)-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121161250
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 91627512
3-cyclopentyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one
CID 90639054
(4-butylcyclohexyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257240
3-chloro-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 90639066
3-chloro-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one
CID 90639063
[(3R)-3-aminopyrrolidin-1-yl]-(4-butylcyclohexyl)methanone
CID 81469957
(4-butylcyclohexyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114501545
N-(4-ethoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90639320
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 91627533

Frequently Asked Questions

What is the IUPAC name of (4-butylcyclohexyl)-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone?
The IUPAC name of (4-butylcyclohexyl)-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone (CID 90639058) is (4-butylcyclohexyl)-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-butylcyclohexyl)-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone?
The canonical SMILES for (4-butylcyclohexyl)-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone is CCCCC1CCC(C(=O)N2CCC(Oc3ccc(OC)nn3)C2)CC1.
What is the InChIKey of (4-butylcyclohexyl)-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone?
The InChIKey is DULYUBBICXTLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-3-4-5-15-6-8-16(9-7-15)20(24)23-13-12-17(14-23)26-19-11-10-18(25-2)21-22-19/h10-11,15-17H,3-9,12-14H2,1-2H3.
What are the key properties of (4-butylcyclohexyl)-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone?
(4-butylcyclohexyl)-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone has a molecular weight of 361.49 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylcyclohexyl)-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 90639058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).