1-[3-(4-methylphenoxy)azetidin-1-yl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanone

C21H25N3O2 — CID 118767818

IUPAC1-[3-(4-methylphenoxy)azetidin-1-yl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanone
SMILESCc1ccc(OC2CN(C(=O)C(c3cccnc3)N3CCCC3)C2)cc1
InChIInChI=1S/C21H25N3O2/c1-16-6-8-18(9-7-16)26-19-14-24(15-19)21(25)20(23-11-2-3-12-23)17-5-4-10-22-13-17/h4-10,13,19-20H,2-3,11-12,14-15H2,1H3
InChIKeyLSYFJKBVULCJKI-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.82
Rot. Bonds5

About 1-[3-(4-methylphenoxy)azetidin-1-yl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanone

1-[3-(4-methylphenoxy)azetidin-1-yl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanone (PubChem CID 118767818) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-[3-(4-methylphenoxy)azetidin-1-yl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-[3-(4-methylphenoxy)azetidin-1-yl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanone
PubChem CID118767818
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-[3-(4-methylphenoxy)azetidin-1-yl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanone
SMILESCc1ccc(OC2CN(C(=O)C(c3cccnc3)N3CCCC3)C2)cc1
InChIInChI=1S/C21H25N3O2/c1-16-6-8-18(9-7-16)26-19-14-24(15-19)21(25)20(23-11-2-3-12-23)17-5-4-10-22-13-17/h4-10,13,19-20H,2-3,11-12,14-15H2,1H3
InChIKeyLSYFJKBVULCJKI-UHFFFAOYSA-N
XLogP2.82
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperidin-1-yl-1-pyridin-3-ylpropan-2-one
CID 116860071
(2R)-2-pyridin-3-yl-1-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 97284567
1-(2-methylphenyl)-4-(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)piperazin-2-one
CID 70761405
(2S)-2-morpholin-4-yl-1-(1,4-oxazepan-4-yl)-2-pyridin-3-ylethanone
CID 97203647
(2R)-2-morpholin-4-yl-1-(1,4-oxazepan-4-yl)-2-pyridin-3-ylethanone
CID 97203648
1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanone
CID 56890671
3-methyl-8-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 97279939
2-(dimethylamino)-2-(4-methylphenyl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone
CID 72921497
N-[4-[1-(2-methylpropanoyl)azetidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90011030
(2S)-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanone
CID 97277932
(2R)-1-[3-(4-fluorophenoxy)azetidin-1-yl]-2-(5-methyltetrazol-1-yl)-2-phenylethanone
CID 126430189
5-[[1-(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)piperidin-4-yl]methyl]-1H-pyridin-2-one
CID 138381061

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenoxy)azetidin-1-yl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-[3-(4-methylphenoxy)azetidin-1-yl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanone (CID 118767818) is 1-[3-(4-methylphenoxy)azetidin-1-yl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-[3-(4-methylphenoxy)azetidin-1-yl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-[3-(4-methylphenoxy)azetidin-1-yl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanone is Cc1ccc(OC2CN(C(=O)C(c3cccnc3)N3CCCC3)C2)cc1.
What is the InChIKey of 1-[3-(4-methylphenoxy)azetidin-1-yl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanone?
The InChIKey is LSYFJKBVULCJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16-6-8-18(9-7-16)26-19-14-24(15-19)21(25)20(23-11-2-3-12-23)17-5-4-10-22-13-17/h4-10,13,19-20H,2-3,11-12,14-15H2,1H3.
What are the key properties of 1-[3-(4-methylphenoxy)azetidin-1-yl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanone?
1-[3-(4-methylphenoxy)azetidin-1-yl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanone has a molecular weight of 351.45 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylphenoxy)azetidin-1-yl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 118767818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).