methyl 2-[1-[4-(2-methyl-4-pyridinyl)phenyl]azetidin-3-yl]acetate

C18H20N2O2 — CID 172578240

IUPACmethyl 2-[1-[4-(2-methyl-4-pyridinyl)phenyl]azetidin-3-yl]acetate
SMILESCOC(=O)CC1CN(c2ccc(-c3ccnc(C)c3)cc2)C1
InChIInChI=1S/C18H20N2O2/c1-13-9-16(7-8-19-13)15-3-5-17(6-4-15)20-11-14(12-20)10-18(21)22-2/h3-9,14H,10-12H2,1-2H3
InChIKeyUHJRJMPHZTYNMF-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.06
Rot. Bonds4

About methyl 2-[1-[4-(2-methyl-4-pyridinyl)phenyl]azetidin-3-yl]acetate

methyl 2-[1-[4-(2-methyl-4-pyridinyl)phenyl]azetidin-3-yl]acetate (PubChem CID 172578240) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is methyl 2-[1-[4-(2-methyl-4-pyridinyl)phenyl]azetidin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[4-(2-methyl-4-pyridinyl)phenyl]azetidin-3-yl]acetate
PubChem CID172578240
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Namemethyl 2-[1-[4-(2-methyl-4-pyridinyl)phenyl]azetidin-3-yl]acetate
SMILESCOC(=O)CC1CN(c2ccc(-c3ccnc(C)c3)cc2)C1
InChIInChI=1S/C18H20N2O2/c1-13-9-16(7-8-19-13)15-3-5-17(6-4-15)20-11-14(12-20)10-18(21)22-2/h3-9,14H,10-12H2,1-2H3
InChIKeyUHJRJMPHZTYNMF-UHFFFAOYSA-N
XLogP3.06
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-[2-(2-methoxy-4-pyridinyl)-4-pyridinyl]azetidin-3-yl]acetate
CID 172578180
N-[5-[(3S,5R)-4-acetyl-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
CID 58447754
methyl 4-[6-[[2-[4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate
CID 58447725
1-[1-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]azetidin-3-yl]but-3-en-2-one
CID 148596599
lithium 2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]acetate
CID 171808777
methyl 2-[1-[4-(4-cyanophenyl)-3-methylphenyl]piperidin-3-yl]acetate
CID 67576735
7-[4-[4-(2-methoxy-2-oxoethyl)cyclohexyl]phenyl]quinoline-4-carboxylic acid
CID 58064618
1-[4-(2-methyl-4-pyridinyl)phenyl]-3-(4-piperidin-1-ylphenyl)butan-2-one
CID 58335434
4-[6-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethylamino]-3-pyridinyl]piperazine-1-carboxylic acid
CID 151627782
1-[4-(2-methyl-4-pyridinyl)phenyl]-3-[4-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one
CID 58335441
2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide
CID 58447755
[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methylcarbamic acid
CID 22052415

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[4-(2-methyl-4-pyridinyl)phenyl]azetidin-3-yl]acetate?
The IUPAC name of methyl 2-[1-[4-(2-methyl-4-pyridinyl)phenyl]azetidin-3-yl]acetate (CID 172578240) is methyl 2-[1-[4-(2-methyl-4-pyridinyl)phenyl]azetidin-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-[4-(2-methyl-4-pyridinyl)phenyl]azetidin-3-yl]acetate?
The canonical SMILES for methyl 2-[1-[4-(2-methyl-4-pyridinyl)phenyl]azetidin-3-yl]acetate is COC(=O)CC1CN(c2ccc(-c3ccnc(C)c3)cc2)C1.
What is the InChIKey of methyl 2-[1-[4-(2-methyl-4-pyridinyl)phenyl]azetidin-3-yl]acetate?
The InChIKey is UHJRJMPHZTYNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-9-16(7-8-19-13)15-3-5-17(6-4-15)20-11-14(12-20)10-18(21)22-2/h3-9,14H,10-12H2,1-2H3.
What are the key properties of methyl 2-[1-[4-(2-methyl-4-pyridinyl)phenyl]azetidin-3-yl]acetate?
methyl 2-[1-[4-(2-methyl-4-pyridinyl)phenyl]azetidin-3-yl]acetate has a molecular weight of 296.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[4-(2-methyl-4-pyridinyl)phenyl]azetidin-3-yl]acetate is sourced from PubChem (CID 172578240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).