[2-(methoxymethyl)pyrrolidin-1-yl]-[3-(5-methoxy-3-pyridinyl)phenyl]methanone

C19H22N2O3 — CID 156607723

IUPAC[2-(methoxymethyl)pyrrolidin-1-yl]-[3-(5-methoxy-3-pyridinyl)phenyl]methanone
SMILESCOCC1CCCN1C(=O)c1cccc(-c2cncc(OC)c2)c1
InChIInChI=1S/C19H22N2O3/c1-23-13-17-7-4-8-21(17)19(22)15-6-3-5-14(9-15)16-10-18(24-2)12-20-11-16/h3,5-6,9-12,17H,4,7-8,13H2,1-2H3
InChIKeyUTEWQVAGMAEBQS-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.01
Rot. Bonds5

About [2-(methoxymethyl)pyrrolidin-1-yl]-[3-(5-methoxy-3-pyridinyl)phenyl]methanone

[2-(methoxymethyl)pyrrolidin-1-yl]-[3-(5-methoxy-3-pyridinyl)phenyl]methanone (PubChem CID 156607723) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is [2-(methoxymethyl)pyrrolidin-1-yl]-[3-(5-methoxy-3-pyridinyl)phenyl]methanone.

Molecular Properties

Compound Name[2-(methoxymethyl)pyrrolidin-1-yl]-[3-(5-methoxy-3-pyridinyl)phenyl]methanone
PubChem CID156607723
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name[2-(methoxymethyl)pyrrolidin-1-yl]-[3-(5-methoxy-3-pyridinyl)phenyl]methanone
SMILESCOCC1CCCN1C(=O)c1cccc(-c2cncc(OC)c2)c1
InChIInChI=1S/C19H22N2O3/c1-23-13-17-7-4-8-21(17)19(22)15-6-3-5-14(9-15)16-10-18(24-2)12-20-11-16/h3,5-6,9-12,17H,4,7-8,13H2,1-2H3
InChIKeyUTEWQVAGMAEBQS-UHFFFAOYSA-N
XLogP3.01
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[3-(2-methylsulfanylphenyl)phenyl]methanone
CID 118779278
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(4-pyrimidin-5-ylphenyl)methanone
CID 118775706
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[3-(2-methyl-5-propylpyrimidin-4-yl)phenyl]methanone
CID 121497442
(3,4-dichlorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 110866902
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(1-methylindazol-6-yl)methanone
CID 141275744
3-fluorosulfonyloxy-5-[2-(methoxymethyl)piperidine-1-carbonyl]pyridine
CID 154881440
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride
CID 119634499
[2-(3-aminopropyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone
CID 63767479
N-cyclopropyl-1-[3-(3-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide
CID 134800399
[4-(2,3-difluorophenyl)phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 118794181
3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methylbenzoic acid
CID 141091395
[2-(2-hydroxypropyl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 79548686

Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)pyrrolidin-1-yl]-[3-(5-methoxy-3-pyridinyl)phenyl]methanone?
The IUPAC name of [2-(methoxymethyl)pyrrolidin-1-yl]-[3-(5-methoxy-3-pyridinyl)phenyl]methanone (CID 156607723) is [2-(methoxymethyl)pyrrolidin-1-yl]-[3-(5-methoxy-3-pyridinyl)phenyl]methanone.
What is the SMILES notation for [2-(methoxymethyl)pyrrolidin-1-yl]-[3-(5-methoxy-3-pyridinyl)phenyl]methanone?
The canonical SMILES for [2-(methoxymethyl)pyrrolidin-1-yl]-[3-(5-methoxy-3-pyridinyl)phenyl]methanone is COCC1CCCN1C(=O)c1cccc(-c2cncc(OC)c2)c1.
What is the InChIKey of [2-(methoxymethyl)pyrrolidin-1-yl]-[3-(5-methoxy-3-pyridinyl)phenyl]methanone?
The InChIKey is UTEWQVAGMAEBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-23-13-17-7-4-8-21(17)19(22)15-6-3-5-14(9-15)16-10-18(24-2)12-20-11-16/h3,5-6,9-12,17H,4,7-8,13H2,1-2H3.
What are the key properties of [2-(methoxymethyl)pyrrolidin-1-yl]-[3-(5-methoxy-3-pyridinyl)phenyl]methanone?
[2-(methoxymethyl)pyrrolidin-1-yl]-[3-(5-methoxy-3-pyridinyl)phenyl]methanone has a molecular weight of 326.40 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)pyrrolidin-1-yl]-[3-(5-methoxy-3-pyridinyl)phenyl]methanone is sourced from PubChem (CID 156607723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).