(2,2-dimethyl-4-phenylpyrrolidin-1-yl)-(6-methoxypyridazin-3-yl)methanone

C18H21N3O2 — CID 138024531

IUPAC(2,2-dimethyl-4-phenylpyrrolidin-1-yl)-(6-methoxypyridazin-3-yl)methanone
SMILESCOc1ccc(C(=O)N2CC(c3ccccc3)CC2(C)C)nn1
InChIInChI=1S/C18H21N3O2/c1-18(2)11-14(13-7-5-4-6-8-13)12-21(18)17(22)15-9-10-16(23-3)20-19-15/h4-10,14H,11-12H2,1-3H3
InChIKeyCHCDYSMYUZPXGU-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.89
Rot. Bonds3

About (2,2-dimethyl-4-phenylpyrrolidin-1-yl)-(6-methoxypyridazin-3-yl)methanone

(2,2-dimethyl-4-phenylpyrrolidin-1-yl)-(6-methoxypyridazin-3-yl)methanone (PubChem CID 138024531) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is (2,2-dimethyl-4-phenylpyrrolidin-1-yl)-(6-methoxypyridazin-3-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethyl-4-phenylpyrrolidin-1-yl)-(6-methoxypyridazin-3-yl)methanone
PubChem CID138024531
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name(2,2-dimethyl-4-phenylpyrrolidin-1-yl)-(6-methoxypyridazin-3-yl)methanone
SMILESCOc1ccc(C(=O)N2CC(c3ccccc3)CC2(C)C)nn1
InChIInChI=1S/C18H21N3O2/c1-18(2)11-14(13-7-5-4-6-8-13)12-21(18)17(22)15-9-10-16(23-3)20-19-15/h4-10,14H,11-12H2,1-3H3
InChIKeyCHCDYSMYUZPXGU-UHFFFAOYSA-N
XLogP2.89
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-(2,2-dimethyl-4-phenylpyrrolidin-1-yl)methanone
CID 138024529
tert-butyl 2,2-dimethyl-4-phenylpyrrolidine-1-carboxylate
CID 90383956
[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-(6-methoxypyridazin-3-yl)methanone
CID 98187752
(6-methoxypyridazin-3-yl)-(2-phenylcyclopropyl)methanone
CID 103373167
(4-hydroxy-4-methylpiperidin-1-yl)-(6-methoxypyridazin-3-yl)methanone
CID 139006520
[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methoxypyridazin-3-yl)methanone
CID 98355940
3-(2,2-dimethyl-4-phenylpyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-sulfonamide
CID 154854752
(6-methoxypyridazin-3-yl)-phenylmethanone
CID 10242336
N-ethyl-6-methoxy-N-phenylpyridazine-3-carboxamide
CID 90509364
[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(6-methoxypyridazin-3-yl)methanone
CID 97026691
(2,6-dimethoxyphenyl)-(5,5-dimethyl-2-phenylmorpholin-4-yl)methanone
CID 110327316
[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(6-methoxypyridazin-3-yl)methanone
CID 95773881

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-4-phenylpyrrolidin-1-yl)-(6-methoxypyridazin-3-yl)methanone?
The IUPAC name of (2,2-dimethyl-4-phenylpyrrolidin-1-yl)-(6-methoxypyridazin-3-yl)methanone (CID 138024531) is (2,2-dimethyl-4-phenylpyrrolidin-1-yl)-(6-methoxypyridazin-3-yl)methanone.
What is the SMILES notation for (2,2-dimethyl-4-phenylpyrrolidin-1-yl)-(6-methoxypyridazin-3-yl)methanone?
The canonical SMILES for (2,2-dimethyl-4-phenylpyrrolidin-1-yl)-(6-methoxypyridazin-3-yl)methanone is COc1ccc(C(=O)N2CC(c3ccccc3)CC2(C)C)nn1.
What is the InChIKey of (2,2-dimethyl-4-phenylpyrrolidin-1-yl)-(6-methoxypyridazin-3-yl)methanone?
The InChIKey is CHCDYSMYUZPXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-18(2)11-14(13-7-5-4-6-8-13)12-21(18)17(22)15-9-10-16(23-3)20-19-15/h4-10,14H,11-12H2,1-3H3.
What are the key properties of (2,2-dimethyl-4-phenylpyrrolidin-1-yl)-(6-methoxypyridazin-3-yl)methanone?
(2,2-dimethyl-4-phenylpyrrolidin-1-yl)-(6-methoxypyridazin-3-yl)methanone has a molecular weight of 311.39 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-4-phenylpyrrolidin-1-yl)-(6-methoxypyridazin-3-yl)methanone is sourced from PubChem (CID 138024531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).