3-methyl-N-(1-methyl-2-pyridinylidene)-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide

C13H16F3N3O — CID 170745074

IUPAC3-methyl-N-(1-methyl-2-pyridinylidene)-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
SMILESCn1cccc/c1=N\C(=O)C1(C)CN(CC(F)(F)F)C1
InChIInChI=1S/C13H16F3N3O/c1-12(7-19(8-12)9-13(14,15)16)11(20)17-10-5-3-4-6-18(10)2/h3-6H,7-9H2,1-2H3/b17-10+
InChIKeyYOSCEWJUYWQUCY-LICLKQGHSA-N
MW287.28 g/mol
LogP1.34
Rot. Bonds2

About 3-methyl-N-(1-methyl-2-pyridinylidene)-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide

3-methyl-N-(1-methyl-2-pyridinylidene)-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide (PubChem CID 170745074) has the molecular formula C13H16F3N3O and a molecular weight of 287.28 g/mol. Its IUPAC name is 3-methyl-N-(1-methyl-2-pyridinylidene)-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1-methyl-2-pyridinylidene)-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
PubChem CID170745074
Molecular FormulaC13H16F3N3O
Molecular Weight287.28 g/mol
Exact Mass287.12
IUPAC Name3-methyl-N-(1-methyl-2-pyridinylidene)-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
SMILESCn1cccc/c1=N\C(=O)C1(C)CN(CC(F)(F)F)C1
InChIInChI=1S/C13H16F3N3O/c1-12(7-19(8-12)9-13(14,15)16)11(20)17-10-5-3-4-6-18(10)2/h3-6H,7-9H2,1-2H3/b17-10+
InChIKeyYOSCEWJUYWQUCY-LICLKQGHSA-N
XLogP1.34
TPSA37.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-fluoro-1-methyl-2-pyridinylidene)-1,3-dimethylazetidine-3-carboxamide
CID 178466110
N-(5-fluoro-1,4-dimethyl-2-pyridinylidene)-1,3-dimethylazetidine-3-carboxamide
CID 178466125
3-methyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide
CID 170745078
1-cyclopropyl-3-methyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide
CID 170745081
3-methyl-N-(1-methyl-2-pyridinylidene)-1-propan-2-ylazetidine-3-carboxamide
CID 170745082
1,3-dimethyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide
CID 170745086
1-methyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide
CID 178466137

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-methyl-2-pyridinylidene)-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide?
The IUPAC name of 3-methyl-N-(1-methyl-2-pyridinylidene)-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide (CID 170745074) is 3-methyl-N-(1-methyl-2-pyridinylidene)-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-(1-methyl-2-pyridinylidene)-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-(1-methyl-2-pyridinylidene)-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide is Cn1cccc/c1=N\C(=O)C1(C)CN(CC(F)(F)F)C1.
What is the InChIKey of 3-methyl-N-(1-methyl-2-pyridinylidene)-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide?
The InChIKey is YOSCEWJUYWQUCY-LICLKQGHSA-N. The full InChI is InChI=1S/C13H16F3N3O/c1-12(7-19(8-12)9-13(14,15)16)11(20)17-10-5-3-4-6-18(10)2/h3-6H,7-9H2,1-2H3/b17-10+.
What are the key properties of 3-methyl-N-(1-methyl-2-pyridinylidene)-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide?
3-methyl-N-(1-methyl-2-pyridinylidene)-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide has a molecular weight of 287.28 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-methyl-2-pyridinylidene)-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide is sourced from PubChem (CID 170745074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).