1-[4-[(6-methyl-4-pyrrolidin-1-yl-2-pyridinyl)methoxy]phenyl]ethanone

C19H22N2O2 — CID 139835648

IUPAC1-[4-[(6-methyl-4-pyrrolidin-1-yl-2-pyridinyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2cc(N3CCCC3)cc(C)n2)cc1
InChIInChI=1S/C19H22N2O2/c1-14-11-18(21-9-3-4-10-21)12-17(20-14)13-23-19-7-5-16(6-8-19)15(2)22/h5-8,11-12H,3-4,9-10,13H2,1-2H3
InChIKeyPYFDUHAXTNYJJT-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.77
Rot. Bonds5

About 1-[4-[(6-methyl-4-pyrrolidin-1-yl-2-pyridinyl)methoxy]phenyl]ethanone

1-[4-[(6-methyl-4-pyrrolidin-1-yl-2-pyridinyl)methoxy]phenyl]ethanone (PubChem CID 139835648) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[4-[(6-methyl-4-pyrrolidin-1-yl-2-pyridinyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(6-methyl-4-pyrrolidin-1-yl-2-pyridinyl)methoxy]phenyl]ethanone
PubChem CID139835648
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-[4-[(6-methyl-4-pyrrolidin-1-yl-2-pyridinyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2cc(N3CCCC3)cc(C)n2)cc1
InChIInChI=1S/C19H22N2O2/c1-14-11-18(21-9-3-4-10-21)12-17(20-14)13-23-19-7-5-16(6-8-19)15(2)22/h5-8,11-12H,3-4,9-10,13H2,1-2H3
InChIKeyPYFDUHAXTNYJJT-UHFFFAOYSA-N
XLogP3.77
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-piperidin-1-yl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine
CID 139835605
4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methoxy]benzoic acid
CID 100802415
4-(4-acetylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)butanamide
CID 26070713
1-[4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]ethanone
CID 82530473
1-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanone
CID 82842996
1-(3-acetyl-5-pyrrolidin-1-ylphenyl)ethanone
CID 168514235
1-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanone
CID 66156413
1-[4-[[4-[(4-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 10619405
2-(4-acetylphenoxy)-N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)acetamide
CID 55835649
oxalic acid;1-[4-(4-pyrrolidin-1-ylbutoxy)phenyl]ethanone
CID 2950389
1-[4-[4-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 26394752
1-[4-[(8-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]ethanone
CID 82529673

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-methyl-4-pyrrolidin-1-yl-2-pyridinyl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[4-[(6-methyl-4-pyrrolidin-1-yl-2-pyridinyl)methoxy]phenyl]ethanone (CID 139835648) is 1-[4-[(6-methyl-4-pyrrolidin-1-yl-2-pyridinyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(6-methyl-4-pyrrolidin-1-yl-2-pyridinyl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[(6-methyl-4-pyrrolidin-1-yl-2-pyridinyl)methoxy]phenyl]ethanone is CC(=O)c1ccc(OCc2cc(N3CCCC3)cc(C)n2)cc1.
What is the InChIKey of 1-[4-[(6-methyl-4-pyrrolidin-1-yl-2-pyridinyl)methoxy]phenyl]ethanone?
The InChIKey is PYFDUHAXTNYJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-11-18(21-9-3-4-10-21)12-17(20-14)13-23-19-7-5-16(6-8-19)15(2)22/h5-8,11-12H,3-4,9-10,13H2,1-2H3.
What are the key properties of 1-[4-[(6-methyl-4-pyrrolidin-1-yl-2-pyridinyl)methoxy]phenyl]ethanone?
1-[4-[(6-methyl-4-pyrrolidin-1-yl-2-pyridinyl)methoxy]phenyl]ethanone has a molecular weight of 310.40 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-methyl-4-pyrrolidin-1-yl-2-pyridinyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 139835648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).