1-[[6-[(2-methoxy-6-propyl-3-pyridinyl)methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid

C26H32N2O4 — CID 67195504

IUPAC1-[[6-[(2-methoxy-6-propyl-3-pyridinyl)methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid
SMILESCCCc1ccc(COc2ccc3c(c2)CCC(CN2CC(C(=O)O)C2)=C3C)c(OC)n1
InChIInChI=1S/C26H32N2O4/c1-4-5-22-9-8-20(25(27-22)31-3)16-32-23-10-11-24-17(2)19(7-6-18(24)12-23)13-28-14-21(15-28)26(29)30/h8-12,21H,4-7,13-16H2,1-3H3,(H,29,30)
InChIKeyDLHNUNCVCFCEDO-UHFFFAOYSA-N
MW436.55 g/mol
LogP4.36
Rot. Bonds9

About 1-[[6-[(2-methoxy-6-propyl-3-pyridinyl)methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid

1-[[6-[(2-methoxy-6-propyl-3-pyridinyl)methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid (PubChem CID 67195504) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is 1-[[6-[(2-methoxy-6-propyl-3-pyridinyl)methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[6-[(2-methoxy-6-propyl-3-pyridinyl)methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid
PubChem CID67195504
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC Name1-[[6-[(2-methoxy-6-propyl-3-pyridinyl)methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid
SMILESCCCc1ccc(COc2ccc3c(c2)CCC(CN2CC(C(=O)O)C2)=C3C)c(OC)n1
InChIInChI=1S/C26H32N2O4/c1-4-5-22-9-8-20(25(27-22)31-3)16-32-23-10-11-24-17(2)19(7-6-18(24)12-23)13-28-14-21(15-28)26(29)30/h8-12,21H,4-7,13-16H2,1-3H3,(H,29,30)
InChIKeyDLHNUNCVCFCEDO-UHFFFAOYSA-N
XLogP4.36
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-[(2-methoxy-6-propyl-3-pyridinyl)methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[[6-[(2-methoxy-6-propyl-3-pyridinyl)methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid (CID 67195504) is 1-[[6-[(2-methoxy-6-propyl-3-pyridinyl)methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[[6-[(2-methoxy-6-propyl-3-pyridinyl)methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[[6-[(2-methoxy-6-propyl-3-pyridinyl)methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid is CCCc1ccc(COc2ccc3c(c2)CCC(CN2CC(C(=O)O)C2)=C3C)c(OC)n1.
What is the InChIKey of 1-[[6-[(2-methoxy-6-propyl-3-pyridinyl)methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid?
The InChIKey is DLHNUNCVCFCEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-4-5-22-9-8-20(25(27-22)31-3)16-32-23-10-11-24-17(2)19(7-6-18(24)12-23)13-28-14-21(15-28)26(29)30/h8-12,21H,4-7,13-16H2,1-3H3,(H,29,30).
What are the key properties of 1-[[6-[(2-methoxy-6-propyl-3-pyridinyl)methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid?
1-[[6-[(2-methoxy-6-propyl-3-pyridinyl)methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid has a molecular weight of 436.55 g/mol, XLogP of 4.36, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[(2-methoxy-6-propyl-3-pyridinyl)methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 67195504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).