1-[[4-[(6-cyano-2-pyridinyl)methoxy]-3-methylphenyl]methyl]azetidine-3-carboxylic acid

C19H19N3O3 — CID 176930816

IUPAC1-[[4-[(6-cyano-2-pyridinyl)methoxy]-3-methylphenyl]methyl]azetidine-3-carboxylic acid
SMILESCc1cc(CN2CC(C(=O)O)C2)ccc1OCc1cccc(C#N)n1
InChIInChI=1S/C19H19N3O3/c1-13-7-14(9-22-10-15(11-22)19(23)24)5-6-18(13)25-12-17-4-2-3-16(8-20)21-17/h2-7,15H,9-12H2,1H3,(H,23,24)
InChIKeyJWHBNCPWUXBMQX-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.36
Rot. Bonds6

About 1-[[4-[(6-cyano-2-pyridinyl)methoxy]-3-methylphenyl]methyl]azetidine-3-carboxylic acid

1-[[4-[(6-cyano-2-pyridinyl)methoxy]-3-methylphenyl]methyl]azetidine-3-carboxylic acid (PubChem CID 176930816) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-[[4-[(6-cyano-2-pyridinyl)methoxy]-3-methylphenyl]methyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[4-[(6-cyano-2-pyridinyl)methoxy]-3-methylphenyl]methyl]azetidine-3-carboxylic acid
PubChem CID176930816
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name1-[[4-[(6-cyano-2-pyridinyl)methoxy]-3-methylphenyl]methyl]azetidine-3-carboxylic acid
SMILESCc1cc(CN2CC(C(=O)O)C2)ccc1OCc1cccc(C#N)n1
InChIInChI=1S/C19H19N3O3/c1-13-7-14(9-22-10-15(11-22)19(23)24)5-6-18(13)25-12-17-4-2-3-16(8-20)21-17/h2-7,15H,9-12H2,1H3,(H,23,24)
InChIKeyJWHBNCPWUXBMQX-UHFFFAOYSA-N
XLogP2.36
TPSA86.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid
CID 176930273
1-[[3-methyl-4-[[5-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid
CID 176930339
1-[[4-[(3,4-dichlorophenyl)methoxy]-2,5-dimethylphenyl]methyl]azetidine-3-carboxylic acid
CID 176930599
N-methyl-1-[[3-methyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]azetidine-3-carboxamide
CID 176930885
1-[(3-hydroxy-4-methoxyphenyl)methyl]azetidine-3-carboxylic acid
CID 65071834
N-methyl-1-[(3-methyl-4-propoxyphenyl)methyl]azetidine-3-carboxamide
CID 167870587
1-[[4-[(5-cyano-3-pyridinyl)methoxy]-2-methylphenyl]methyl]azetidine-3-carboxylic acid
CID 176929892
1-[(6-methyl-3-pyridinyl)methyl]azetidine-3-carboxylic acid
CID 104823904
N-methyl-1-[[3-methyl-4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide
CID 176931156
1-[[4-[[3-(difluoromethoxy)phenyl]methoxy]-3,5-dimethylphenyl]methyl]azetidine-3-carboxylic acid
CID 176930898
1-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid
CID 176930206
1-[[4-[[5-cyclobutyl-6-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid
CID 176930438

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(6-cyano-2-pyridinyl)methoxy]-3-methylphenyl]methyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[[4-[(6-cyano-2-pyridinyl)methoxy]-3-methylphenyl]methyl]azetidine-3-carboxylic acid (CID 176930816) is 1-[[4-[(6-cyano-2-pyridinyl)methoxy]-3-methylphenyl]methyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[[4-[(6-cyano-2-pyridinyl)methoxy]-3-methylphenyl]methyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[[4-[(6-cyano-2-pyridinyl)methoxy]-3-methylphenyl]methyl]azetidine-3-carboxylic acid is Cc1cc(CN2CC(C(=O)O)C2)ccc1OCc1cccc(C#N)n1.
What is the InChIKey of 1-[[4-[(6-cyano-2-pyridinyl)methoxy]-3-methylphenyl]methyl]azetidine-3-carboxylic acid?
The InChIKey is JWHBNCPWUXBMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13-7-14(9-22-10-15(11-22)19(23)24)5-6-18(13)25-12-17-4-2-3-16(8-20)21-17/h2-7,15H,9-12H2,1H3,(H,23,24).
What are the key properties of 1-[[4-[(6-cyano-2-pyridinyl)methoxy]-3-methylphenyl]methyl]azetidine-3-carboxylic acid?
1-[[4-[(6-cyano-2-pyridinyl)methoxy]-3-methylphenyl]methyl]azetidine-3-carboxylic acid has a molecular weight of 337.38 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(6-cyano-2-pyridinyl)methoxy]-3-methylphenyl]methyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 176930816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).