[3-[2-methyl-4-(2-propan-2-ylphenoxy)phenyl]pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone

C27H30N2O2 — CID 156815282

IUPAC[3-[2-methyl-4-(2-propan-2-ylphenoxy)phenyl]pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CCC(c3ccc(Oc4ccccc4C(C)C)cc3C)C2)n1
InChIInChI=1S/C27H30N2O2/c1-18(2)23-9-5-6-11-26(23)31-22-12-13-24(19(3)16-22)21-14-15-29(17-21)27(30)25-10-7-8-20(4)28-25/h5-13,16,18,21H,14-15,17H2,1-4H3
InChIKeyVCJPHZPPHYSOBP-UHFFFAOYSA-N
MW414.55 g/mol
LogP6.24
Rot. Bonds5

About [3-[2-methyl-4-(2-propan-2-ylphenoxy)phenyl]pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone

[3-[2-methyl-4-(2-propan-2-ylphenoxy)phenyl]pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone (PubChem CID 156815282) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is [3-[2-methyl-4-(2-propan-2-ylphenoxy)phenyl]pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[3-[2-methyl-4-(2-propan-2-ylphenoxy)phenyl]pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
PubChem CID156815282
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC Name[3-[2-methyl-4-(2-propan-2-ylphenoxy)phenyl]pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CCC(c3ccc(Oc4ccccc4C(C)C)cc3C)C2)n1
InChIInChI=1S/C27H30N2O2/c1-18(2)23-9-5-6-11-26(23)31-22-12-13-24(19(3)16-22)21-14-15-29(17-21)27(30)25-10-7-8-20(4)28-25/h5-13,16,18,21H,14-15,17H2,1-4H3
InChIKeyVCJPHZPPHYSOBP-UHFFFAOYSA-N
XLogP6.24
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [3-[2-methyl-4-(2-propan-2-ylphenoxy)phenyl]pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone with MolForge

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Related Compounds

5-(2-propan-2-ylphenoxy)-2-[1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]benzamide
CID 156815667
2,6-dimethylpyridine;3-[2-formyl-4-(2-propan-2-ylphenoxy)phenyl]pyrrolidine-1-carbaldehyde;methanamine
CID 156815074
3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenoxy)phenyl]pyrrolidine-1-carbaldehyde
CID 156814653
2-[1-(1,2-dihydropyridine-2-carbonyl)pyrrolidin-3-yl]-5-(2-propan-2-ylphenoxy)benzamide
CID 166683161
(3-chloropyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 63394911
(3-hydroxypyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 62917922
(3-chloro-1,2-dihydropyridin-2-yl)-[3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenoxy)phenyl]pyrrolidin-1-yl]methanone
CID 166683182
[(3R)-3-aminopyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone;dihydrochloride
CID 119411017
[4-(1-chloroethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 106838767
(6-methyl-2-pyridinyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 124990884
[3-(bromomethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 80666813
(4-amino-3-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 81458540

Frequently Asked Questions

What is the IUPAC name of [3-[2-methyl-4-(2-propan-2-ylphenoxy)phenyl]pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The IUPAC name of [3-[2-methyl-4-(2-propan-2-ylphenoxy)phenyl]pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone (CID 156815282) is [3-[2-methyl-4-(2-propan-2-ylphenoxy)phenyl]pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [3-[2-methyl-4-(2-propan-2-ylphenoxy)phenyl]pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The canonical SMILES for [3-[2-methyl-4-(2-propan-2-ylphenoxy)phenyl]pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone is Cc1cccc(C(=O)N2CCC(c3ccc(Oc4ccccc4C(C)C)cc3C)C2)n1.
What is the InChIKey of [3-[2-methyl-4-(2-propan-2-ylphenoxy)phenyl]pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The InChIKey is VCJPHZPPHYSOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O2/c1-18(2)23-9-5-6-11-26(23)31-22-12-13-24(19(3)16-22)21-14-15-29(17-21)27(30)25-10-7-8-20(4)28-25/h5-13,16,18,21H,14-15,17H2,1-4H3.
What are the key properties of [3-[2-methyl-4-(2-propan-2-ylphenoxy)phenyl]pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
[3-[2-methyl-4-(2-propan-2-ylphenoxy)phenyl]pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone has a molecular weight of 414.55 g/mol, XLogP of 6.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-methyl-4-(2-propan-2-ylphenoxy)phenyl]pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 156815282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).