1-[[4-[(4-cyano-2-pyridinyl)methoxy]-2,6-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide

C21H24N4O2 — CID 176930970

IUPAC1-[[4-[(4-cyano-2-pyridinyl)methoxy]-2,6-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide
SMILESCNC(=O)C1CN(Cc2c(C)cc(OCc3cc(C#N)ccn3)cc2C)C1
InChIInChI=1S/C21H24N4O2/c1-14-6-19(27-13-18-8-16(9-22)4-5-24-18)7-15(2)20(14)12-25-10-17(11-25)21(26)23-3/h4-8,17H,10-13H2,1-3H3,(H,23,26)
InChIKeyVQUMQKSEPUBHOW-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.33
Rot. Bonds6

About 1-[[4-[(4-cyano-2-pyridinyl)methoxy]-2,6-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide

1-[[4-[(4-cyano-2-pyridinyl)methoxy]-2,6-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide (PubChem CID 176930970) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[[4-[(4-cyano-2-pyridinyl)methoxy]-2,6-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-[[4-[(4-cyano-2-pyridinyl)methoxy]-2,6-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide
PubChem CID176930970
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-[[4-[(4-cyano-2-pyridinyl)methoxy]-2,6-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide
SMILESCNC(=O)C1CN(Cc2c(C)cc(OCc3cc(C#N)ccn3)cc2C)C1
InChIInChI=1S/C21H24N4O2/c1-14-6-19(27-13-18-8-16(9-22)4-5-24-18)7-15(2)20(14)12-25-10-17(11-25)21(26)23-3/h4-8,17H,10-13H2,1-3H3,(H,23,26)
InChIKeyVQUMQKSEPUBHOW-UHFFFAOYSA-N
XLogP2.33
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[4-[(4-cyano-2-pyridinyl)methoxy]-2,6-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide with MolForge

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Related Compounds

1-[[2,6-dimethyl-4-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930706
1-[[4-[(5-cyano-2-pyridinyl)methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930892
1-[[4-[(2-cyano-4-pyridinyl)methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930777
1-[[2,6-dimethyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid
CID 176930184
1-[[4-[(4-cyano-5-propan-2-yloxy-2-pyridinyl)methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930270
N-methyl-1-[[3-methyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]azetidine-3-carboxamide
CID 176930885
1-[[4-[[3-cyano-5-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930875
1-[[4-[[4-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176929943
1-[[4-[(3-cyano-4-cyclobutylphenyl)methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176929923
N-methyl-1-[[4-[[5-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]azetidine-3-carboxamide
CID 176930457
1-[[2,6-dimethyl-4-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176929926
N-methyl-1-[[4-(1H-pyrazol-4-ylmethoxy)phenyl]methyl]azetidine-3-carboxamide
CID 176931109

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(4-cyano-2-pyridinyl)methoxy]-2,6-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide?
The IUPAC name of 1-[[4-[(4-cyano-2-pyridinyl)methoxy]-2,6-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide (CID 176930970) is 1-[[4-[(4-cyano-2-pyridinyl)methoxy]-2,6-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide.
What is the SMILES notation for 1-[[4-[(4-cyano-2-pyridinyl)methoxy]-2,6-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide?
The canonical SMILES for 1-[[4-[(4-cyano-2-pyridinyl)methoxy]-2,6-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide is CNC(=O)C1CN(Cc2c(C)cc(OCc3cc(C#N)ccn3)cc2C)C1.
What is the InChIKey of 1-[[4-[(4-cyano-2-pyridinyl)methoxy]-2,6-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide?
The InChIKey is VQUMQKSEPUBHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-6-19(27-13-18-8-16(9-22)4-5-24-18)7-15(2)20(14)12-25-10-17(11-25)21(26)23-3/h4-8,17H,10-13H2,1-3H3,(H,23,26).
What are the key properties of 1-[[4-[(4-cyano-2-pyridinyl)methoxy]-2,6-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide?
1-[[4-[(4-cyano-2-pyridinyl)methoxy]-2,6-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(4-cyano-2-pyridinyl)methoxy]-2,6-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide is sourced from PubChem (CID 176930970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).