1-[[4-[2-(5-cyano-6-propan-2-yloxy-3-pyridinyl)ethyl]phenyl]methyl]-N-methylazetidine-3-carboxamide

C23H28N4O2 — CID 176930561

IUPAC1-[[4-[2-(5-cyano-6-propan-2-yloxy-3-pyridinyl)ethyl]phenyl]methyl]-N-methylazetidine-3-carboxamide
SMILESCNC(=O)C1CN(Cc2ccc(CCc3cnc(OC(C)C)c(C#N)c3)cc2)C1
InChIInChI=1S/C23H28N4O2/c1-16(2)29-23-20(11-24)10-19(12-26-23)9-6-17-4-7-18(8-5-17)13-27-14-21(15-27)22(28)25-3/h4-5,7-8,10,12,16,21H,6,9,13-15H2,1-3H3,(H,25,28)
InChIKeyDQOLMCUADYCTDE-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.70
Rot. Bonds8

About 1-[[4-[2-(5-cyano-6-propan-2-yloxy-3-pyridinyl)ethyl]phenyl]methyl]-N-methylazetidine-3-carboxamide

1-[[4-[2-(5-cyano-6-propan-2-yloxy-3-pyridinyl)ethyl]phenyl]methyl]-N-methylazetidine-3-carboxamide (PubChem CID 176930561) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[[4-[2-(5-cyano-6-propan-2-yloxy-3-pyridinyl)ethyl]phenyl]methyl]-N-methylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-[[4-[2-(5-cyano-6-propan-2-yloxy-3-pyridinyl)ethyl]phenyl]methyl]-N-methylazetidine-3-carboxamide
PubChem CID176930561
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name1-[[4-[2-(5-cyano-6-propan-2-yloxy-3-pyridinyl)ethyl]phenyl]methyl]-N-methylazetidine-3-carboxamide
SMILESCNC(=O)C1CN(Cc2ccc(CCc3cnc(OC(C)C)c(C#N)c3)cc2)C1
InChIInChI=1S/C23H28N4O2/c1-16(2)29-23-20(11-24)10-19(12-26-23)9-6-17-4-7-18(8-5-17)13-27-14-21(15-27)22(28)25-3/h4-5,7-8,10,12,16,21H,6,9,13-15H2,1-3H3,(H,25,28)
InChIKeyDQOLMCUADYCTDE-UHFFFAOYSA-N
XLogP2.70
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[4-[2-(5-cyano-6-propan-2-yloxy-3-pyridinyl)ethyl]phenyl]methyl]-N-methylazetidine-3-carboxamide with MolForge

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Related Compounds

1-[[4-[(4-cyano-5-propan-2-yloxy-2-pyridinyl)methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930270
1-[[4-[2-[3-(difluoromethoxy)phenyl]ethyl]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930447
1-[[4-[(3-cyano-4-cyclobutylphenyl)methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176929923
1-[[4-[5-(3-cyano-4-propan-2-ylsulfanylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176999932
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-[[6-[(3-cyano-4-propan-2-yloxyphenyl)methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]-N-methylazetidine-3-carboxamide
CID 176999697
1-[(4-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide
CID 176930266
1-[[4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]-3,5-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930959
1-[[4-[[3-cyano-5-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930875
N-methyl-1-[[4-(1H-pyrazol-4-ylmethoxy)phenyl]methyl]azetidine-3-carboxamide
CID 176931109
N-methyl-1-[[3-methyl-4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide
CID 176931156

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[2-(5-cyano-6-propan-2-yloxy-3-pyridinyl)ethyl]phenyl]methyl]-N-methylazetidine-3-carboxamide?
The IUPAC name of 1-[[4-[2-(5-cyano-6-propan-2-yloxy-3-pyridinyl)ethyl]phenyl]methyl]-N-methylazetidine-3-carboxamide (CID 176930561) is 1-[[4-[2-(5-cyano-6-propan-2-yloxy-3-pyridinyl)ethyl]phenyl]methyl]-N-methylazetidine-3-carboxamide.
What is the SMILES notation for 1-[[4-[2-(5-cyano-6-propan-2-yloxy-3-pyridinyl)ethyl]phenyl]methyl]-N-methylazetidine-3-carboxamide?
The canonical SMILES for 1-[[4-[2-(5-cyano-6-propan-2-yloxy-3-pyridinyl)ethyl]phenyl]methyl]-N-methylazetidine-3-carboxamide is CNC(=O)C1CN(Cc2ccc(CCc3cnc(OC(C)C)c(C#N)c3)cc2)C1.
What is the InChIKey of 1-[[4-[2-(5-cyano-6-propan-2-yloxy-3-pyridinyl)ethyl]phenyl]methyl]-N-methylazetidine-3-carboxamide?
The InChIKey is DQOLMCUADYCTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-16(2)29-23-20(11-24)10-19(12-26-23)9-6-17-4-7-18(8-5-17)13-27-14-21(15-27)22(28)25-3/h4-5,7-8,10,12,16,21H,6,9,13-15H2,1-3H3,(H,25,28).
What are the key properties of 1-[[4-[2-(5-cyano-6-propan-2-yloxy-3-pyridinyl)ethyl]phenyl]methyl]-N-methylazetidine-3-carboxamide?
1-[[4-[2-(5-cyano-6-propan-2-yloxy-3-pyridinyl)ethyl]phenyl]methyl]-N-methylazetidine-3-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[2-(5-cyano-6-propan-2-yloxy-3-pyridinyl)ethyl]phenyl]methyl]-N-methylazetidine-3-carboxamide is sourced from PubChem (CID 176930561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).