[azetidine-3-carbonyl-[5-[2-methoxyethyl(methyl)amino]-2-pyridinyl]amino] 2,2,2-trifluoroacetate

C15H19F3N4O4 — CID 175473844

IUPAC[azetidine-3-carbonyl-[5-[2-methoxyethyl(methyl)amino]-2-pyridinyl]amino] 2,2,2-trifluoroacetate
SMILESCOCCN(C)c1ccc(N(OC(=O)C(F)(F)F)C(=O)C2CNC2)nc1
InChIInChI=1S/C15H19F3N4O4/c1-21(5-6-25-2)11-3-4-12(20-9-11)22(13(23)10-7-19-8-10)26-14(24)15(16,17)18/h3-4,9-10,19H,5-8H2,1-2H3
InChIKeyCYAPYRUVZUNYME-UHFFFAOYSA-N
MW376.34 g/mol
LogP0.74
Rot. Bonds6

About [azetidine-3-carbonyl-[5-[2-methoxyethyl(methyl)amino]-2-pyridinyl]amino] 2,2,2-trifluoroacetate

[azetidine-3-carbonyl-[5-[2-methoxyethyl(methyl)amino]-2-pyridinyl]amino] 2,2,2-trifluoroacetate (PubChem CID 175473844) has the molecular formula C15H19F3N4O4 and a molecular weight of 376.34 g/mol. Its IUPAC name is [azetidine-3-carbonyl-[5-[2-methoxyethyl(methyl)amino]-2-pyridinyl]amino] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[azetidine-3-carbonyl-[5-[2-methoxyethyl(methyl)amino]-2-pyridinyl]amino] 2,2,2-trifluoroacetate
PubChem CID175473844
Molecular FormulaC15H19F3N4O4
Molecular Weight376.34 g/mol
Exact Mass376.14
IUPAC Name[azetidine-3-carbonyl-[5-[2-methoxyethyl(methyl)amino]-2-pyridinyl]amino] 2,2,2-trifluoroacetate
SMILESCOCCN(C)c1ccc(N(OC(=O)C(F)(F)F)C(=O)C2CNC2)nc1
InChIInChI=1S/C15H19F3N4O4/c1-21(5-6-25-2)11-3-4-12(20-9-11)22(13(23)10-7-19-8-10)26-14(24)15(16,17)18/h3-4,9-10,19H,5-8H2,1-2H3
InChIKeyCYAPYRUVZUNYME-UHFFFAOYSA-N
XLogP0.74
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[5-[2-(2-methoxyethoxy)ethyl-methylamino]-2-pyridinyl]azetidine-3-carboxamide
CID 146314129
[carbamimidoyl-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]amino] 2,2,2-trifluoroacetate
CID 135286428
(1R)-1-[5-[3-methoxypropyl(methyl)amino]-2-pyridinyl]ethanol
CID 83132161
N-(2-methoxyethyl)-N-methyl-5-(2-pyrimidin-2-ylprop-1-enyl)pyridin-2-amine
CID 136545498
N-hydroxy-5-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]pyridine-2-carboxamide
CID 162770756
(3S,4R)-1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidin-4-ol
CID 129434601
N-(2-methoxyethyl)-N-methyl-5-[(2-methylpiperazin-1-yl)methyl]pyridin-2-amine
CID 120837108
6-(4-chloro-2-methylphenyl)-N-(2-methoxyethyl)-N-methylpyridin-3-amine
CID 172606837
5-(bromomethyl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 107081177
N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119803301
5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 120846541
5-[bis(2-methoxyethyl)amino]pyridine-2-carboxylic acid
CID 113321599

Frequently Asked Questions

What is the IUPAC name of [azetidine-3-carbonyl-[5-[2-methoxyethyl(methyl)amino]-2-pyridinyl]amino] 2,2,2-trifluoroacetate?
The IUPAC name of [azetidine-3-carbonyl-[5-[2-methoxyethyl(methyl)amino]-2-pyridinyl]amino] 2,2,2-trifluoroacetate (CID 175473844) is [azetidine-3-carbonyl-[5-[2-methoxyethyl(methyl)amino]-2-pyridinyl]amino] 2,2,2-trifluoroacetate.
What is the SMILES notation for [azetidine-3-carbonyl-[5-[2-methoxyethyl(methyl)amino]-2-pyridinyl]amino] 2,2,2-trifluoroacetate?
The canonical SMILES for [azetidine-3-carbonyl-[5-[2-methoxyethyl(methyl)amino]-2-pyridinyl]amino] 2,2,2-trifluoroacetate is COCCN(C)c1ccc(N(OC(=O)C(F)(F)F)C(=O)C2CNC2)nc1.
What is the InChIKey of [azetidine-3-carbonyl-[5-[2-methoxyethyl(methyl)amino]-2-pyridinyl]amino] 2,2,2-trifluoroacetate?
The InChIKey is CYAPYRUVZUNYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O4/c1-21(5-6-25-2)11-3-4-12(20-9-11)22(13(23)10-7-19-8-10)26-14(24)15(16,17)18/h3-4,9-10,19H,5-8H2,1-2H3.
What are the key properties of [azetidine-3-carbonyl-[5-[2-methoxyethyl(methyl)amino]-2-pyridinyl]amino] 2,2,2-trifluoroacetate?
[azetidine-3-carbonyl-[5-[2-methoxyethyl(methyl)amino]-2-pyridinyl]amino] 2,2,2-trifluoroacetate has a molecular weight of 376.34 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [azetidine-3-carbonyl-[5-[2-methoxyethyl(methyl)amino]-2-pyridinyl]amino] 2,2,2-trifluoroacetate is sourced from PubChem (CID 175473844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).