[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone

C18H20N2O2 — CID 94816958

IUPAC[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESCOc1ccccc1C[C@@H]1CCCN1C(=O)c1ccncc1
InChIInChI=1S/C18H20N2O2/c1-22-17-7-3-2-5-15(17)13-16-6-4-12-20(16)18(21)14-8-10-19-11-9-14/h2-3,5,7-11,16H,4,6,12-13H2,1H3/t16-/m0/s1
InChIKeyWGKJFKVXTPEYSW-INIZCTEOSA-N
MW296.37 g/mol
LogP2.94
Rot. Bonds4

About [(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone

[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 94816958) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is [(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
PubChem CID94816958
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESCOc1ccccc1C[C@@H]1CCCN1C(=O)c1ccncc1
InChIInChI=1S/C18H20N2O2/c1-22-17-7-3-2-5-15(17)13-16-6-4-12-20(16)18(21)14-8-10-19-11-9-14/h2-3,5,7-11,16H,4,6,12-13H2,1H3/t16-/m0/s1
InChIKeyWGKJFKVXTPEYSW-INIZCTEOSA-N
XLogP2.94
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 51100049
4-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119182996
2-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055471
[4-fluoro-3-(trifluoromethyl)phenyl]-[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
CID 94840195
[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone
CID 136579748
tert-butyl (2S)-2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxylate
CID 50905252
[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95151432
4-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673250
1-[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 94805864
(2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 84514744
2-amino-3-methoxy-1-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]propan-1-one
CID 120987971
2-(cyclopropylmethylamino)-1-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 119758349

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone (CID 94816958) is [(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone is COc1ccccc1C[C@@H]1CCCN1C(=O)c1ccncc1.
What is the InChIKey of [(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is WGKJFKVXTPEYSW-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-22-17-7-3-2-5-15(17)13-16-6-4-12-20(16)18(21)14-8-10-19-11-9-14/h2-3,5,7-11,16H,4,6,12-13H2,1H3/t16-/m0/s1.
What are the key properties of [(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 296.37 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 94816958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).