[2-(4-methylphenoxy)-3-pyridinyl]-pyrrolidin-1-ylmethanone

C17H18N2O2 — CID 101054143

IUPAC[2-(4-methylphenoxy)-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(Oc2ncccc2C(=O)N2CCCC2)cc1
InChIInChI=1S/C17H18N2O2/c1-13-6-8-14(9-7-13)21-16-15(5-4-10-18-16)17(20)19-11-2-3-12-19/h4-10H,2-3,11-12H2,1H3
InChIKeyOOLKFBRQYSCIAC-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.42
Rot. Bonds3

About [2-(4-methylphenoxy)-3-pyridinyl]-pyrrolidin-1-ylmethanone

[2-(4-methylphenoxy)-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 101054143) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is [2-(4-methylphenoxy)-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(4-methylphenoxy)-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID101054143
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name[2-(4-methylphenoxy)-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(Oc2ncccc2C(=O)N2CCCC2)cc1
InChIInChI=1S/C17H18N2O2/c1-13-6-8-14(9-7-13)21-16-15(5-4-10-18-16)17(20)19-11-2-3-12-19/h4-10H,2-3,11-12H2,1H3
InChIKeyOOLKFBRQYSCIAC-UHFFFAOYSA-N
XLogP3.42
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(2-phenoxy-3-pyridinyl)methanone
CID 23903349
(4-methylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone
CID 21019677
2-(4-methylphenoxy)pyridine-3-carbonyl chloride
CID 2774899
[4-[2-(4-bromophenoxy)pyridine-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
CID 39402025
ethyl 1-(2-phenoxypyridine-3-carbonyl)piperidine-4-carboxylate
CID 2813431
(4-methylsulfonylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone
CID 55519855
[2-(4-bromophenoxy)-3-pyridinyl]-(4-methoxypiperidin-1-yl)methanone
CID 55687326
[2-(3-nitrophenoxy)-3-pyridinyl]-piperidin-1-ylmethanone
CID 44762994
[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(2-phenoxy-3-pyridinyl)methanone
CID 23994165
[2-(3-bromophenoxy)-3-pyridinyl]-(1,4-diazepan-1-yl)methanone
CID 119417840
4-(2-methoxypyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one
CID 70741390
(3-aminopyrrolidin-1-yl)-[2-(4-bromophenoxy)-3-pyridinyl]methanone
CID 119482701

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenoxy)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(4-methylphenoxy)-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 101054143) is [2-(4-methylphenoxy)-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(4-methylphenoxy)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(4-methylphenoxy)-3-pyridinyl]-pyrrolidin-1-ylmethanone is Cc1ccc(Oc2ncccc2C(=O)N2CCCC2)cc1.
What is the InChIKey of [2-(4-methylphenoxy)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is OOLKFBRQYSCIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-13-6-8-14(9-7-13)21-16-15(5-4-10-18-16)17(20)19-11-2-3-12-19/h4-10H,2-3,11-12H2,1H3.
What are the key properties of [2-(4-methylphenoxy)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[2-(4-methylphenoxy)-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 282.34 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenoxy)-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 101054143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).