methyl 1-[[4,5-bis(phenylmethoxy)-2-pyridinyl]methyl]azetidine-3-carboxylate

C25H26N2O4 — CID 71076330

IUPACmethyl 1-[[4,5-bis(phenylmethoxy)-2-pyridinyl]methyl]azetidine-3-carboxylate
SMILESCOC(=O)C1CN(Cc2cc(OCc3ccccc3)c(OCc3ccccc3)cn2)C1
InChIInChI=1S/C25H26N2O4/c1-29-25(28)21-14-27(15-21)16-22-12-23(30-17-19-8-4-2-5-9-19)24(13-26-22)31-18-20-10-6-3-7-11-20/h2-13,21H,14-18H2,1H3
InChIKeySSSQCJPVQHYFTL-UHFFFAOYSA-N
MW418.49 g/mol
LogP3.84
Rot. Bonds9

About methyl 1-[[4,5-bis(phenylmethoxy)-2-pyridinyl]methyl]azetidine-3-carboxylate

methyl 1-[[4,5-bis(phenylmethoxy)-2-pyridinyl]methyl]azetidine-3-carboxylate (PubChem CID 71076330) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is methyl 1-[[4,5-bis(phenylmethoxy)-2-pyridinyl]methyl]azetidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[4,5-bis(phenylmethoxy)-2-pyridinyl]methyl]azetidine-3-carboxylate
PubChem CID71076330
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Namemethyl 1-[[4,5-bis(phenylmethoxy)-2-pyridinyl]methyl]azetidine-3-carboxylate
SMILESCOC(=O)C1CN(Cc2cc(OCc3ccccc3)c(OCc3ccccc3)cn2)C1
InChIInChI=1S/C25H26N2O4/c1-29-25(28)21-14-27(15-21)16-22-12-23(30-17-19-8-4-2-5-9-19)24(13-26-22)31-18-20-10-6-3-7-11-20/h2-13,21H,14-18H2,1H3
InChIKeySSSQCJPVQHYFTL-UHFFFAOYSA-N
XLogP3.84
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]azetidine-3-carboxylic acid
CID 59451825
methyl 1-[[6-(dimethylamino)-3-pyridinyl]methyl]azetidine-3-carboxylate
CID 155956657
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 122040812
methyl (3R,5S)-1-[(2-amino-4-pyridinyl)methyl]-5-phenylpiperidine-3-carboxylate
CID 124626203
methyl (3R)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylate
CID 142605385
azepan-1-yl-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-3-yl]methanone;oxalic acid
CID 2933537
methyl (3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)pyrrolidine-3-carboxylate
CID 58977900
1-[[4,5-bis(phenylmethoxy)pyridine-2-carbonyl]amino]-3-(cyanomethyl)urea
CID 87395926
(4-benzylpiperidin-1-yl)-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-3-yl]methanone;oxalic acid
CID 90483542
methyl (3S)-1-benzyl-5,5-difluoropiperidine-3-carboxylate
CID 97357046
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine;oxalic acid
CID 23724207
(3aS,6aR)-2-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 139598522

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[4,5-bis(phenylmethoxy)-2-pyridinyl]methyl]azetidine-3-carboxylate?
The IUPAC name of methyl 1-[[4,5-bis(phenylmethoxy)-2-pyridinyl]methyl]azetidine-3-carboxylate (CID 71076330) is methyl 1-[[4,5-bis(phenylmethoxy)-2-pyridinyl]methyl]azetidine-3-carboxylate.
What is the SMILES notation for methyl 1-[[4,5-bis(phenylmethoxy)-2-pyridinyl]methyl]azetidine-3-carboxylate?
The canonical SMILES for methyl 1-[[4,5-bis(phenylmethoxy)-2-pyridinyl]methyl]azetidine-3-carboxylate is COC(=O)C1CN(Cc2cc(OCc3ccccc3)c(OCc3ccccc3)cn2)C1.
What is the InChIKey of methyl 1-[[4,5-bis(phenylmethoxy)-2-pyridinyl]methyl]azetidine-3-carboxylate?
The InChIKey is SSSQCJPVQHYFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-29-25(28)21-14-27(15-21)16-22-12-23(30-17-19-8-4-2-5-9-19)24(13-26-22)31-18-20-10-6-3-7-11-20/h2-13,21H,14-18H2,1H3.
What are the key properties of methyl 1-[[4,5-bis(phenylmethoxy)-2-pyridinyl]methyl]azetidine-3-carboxylate?
methyl 1-[[4,5-bis(phenylmethoxy)-2-pyridinyl]methyl]azetidine-3-carboxylate has a molecular weight of 418.49 g/mol, XLogP of 3.84, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[4,5-bis(phenylmethoxy)-2-pyridinyl]methyl]azetidine-3-carboxylate is sourced from PubChem (CID 71076330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).