[2-[(1-methylazetidin-3-yl)amino]-6-(trifluoromethyl)-4-pyridinyl]carbamic acid

C11H13F3N4O2 — CID 156539394

IUPAC[2-[(1-methylazetidin-3-yl)amino]-6-(trifluoromethyl)-4-pyridinyl]carbamic acid
SMILESCN1CC(Nc2cc(NC(=O)O)cc(C(F)(F)F)n2)C1
InChIInChI=1S/C11H13F3N4O2/c1-18-4-7(5-18)15-9-3-6(16-10(19)20)2-8(17-9)11(12,13)14/h2-3,7H,4-5H2,1H3,(H,19,20)(H2,15,16,17)
InChIKeySMOSKOKBTZZPHM-UHFFFAOYSA-N
MW290.25 g/mol
LogP1.92
Rot. Bonds3

About [2-[(1-methylazetidin-3-yl)amino]-6-(trifluoromethyl)-4-pyridinyl]carbamic acid

[2-[(1-methylazetidin-3-yl)amino]-6-(trifluoromethyl)-4-pyridinyl]carbamic acid (PubChem CID 156539394) has the molecular formula C11H13F3N4O2 and a molecular weight of 290.25 g/mol. Its IUPAC name is [2-[(1-methylazetidin-3-yl)amino]-6-(trifluoromethyl)-4-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[2-[(1-methylazetidin-3-yl)amino]-6-(trifluoromethyl)-4-pyridinyl]carbamic acid
PubChem CID156539394
Molecular FormulaC11H13F3N4O2
Molecular Weight290.25 g/mol
Exact Mass290.10
IUPAC Name[2-[(1-methylazetidin-3-yl)amino]-6-(trifluoromethyl)-4-pyridinyl]carbamic acid
SMILESCN1CC(Nc2cc(NC(=O)O)cc(C(F)(F)F)n2)C1
InChIInChI=1S/C11H13F3N4O2/c1-18-4-7(5-18)15-9-3-6(16-10(19)20)2-8(17-9)11(12,13)14/h2-3,7H,4-5H2,1H3,(H,19,20)(H2,15,16,17)
InChIKeySMOSKOKBTZZPHM-UHFFFAOYSA-N
XLogP1.92
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(1-methylazetidin-3-yl)amino]-6-(trifluoromethyl)-4-pyridinyl]carbamic acid?
The IUPAC name of [2-[(1-methylazetidin-3-yl)amino]-6-(trifluoromethyl)-4-pyridinyl]carbamic acid (CID 156539394) is [2-[(1-methylazetidin-3-yl)amino]-6-(trifluoromethyl)-4-pyridinyl]carbamic acid.
What is the SMILES notation for [2-[(1-methylazetidin-3-yl)amino]-6-(trifluoromethyl)-4-pyridinyl]carbamic acid?
The canonical SMILES for [2-[(1-methylazetidin-3-yl)amino]-6-(trifluoromethyl)-4-pyridinyl]carbamic acid is CN1CC(Nc2cc(NC(=O)O)cc(C(F)(F)F)n2)C1.
What is the InChIKey of [2-[(1-methylazetidin-3-yl)amino]-6-(trifluoromethyl)-4-pyridinyl]carbamic acid?
The InChIKey is SMOSKOKBTZZPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O2/c1-18-4-7(5-18)15-9-3-6(16-10(19)20)2-8(17-9)11(12,13)14/h2-3,7H,4-5H2,1H3,(H,19,20)(H2,15,16,17).
What are the key properties of [2-[(1-methylazetidin-3-yl)amino]-6-(trifluoromethyl)-4-pyridinyl]carbamic acid?
[2-[(1-methylazetidin-3-yl)amino]-6-(trifluoromethyl)-4-pyridinyl]carbamic acid has a molecular weight of 290.25 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-methylazetidin-3-yl)amino]-6-(trifluoromethyl)-4-pyridinyl]carbamic acid is sourced from PubChem (CID 156539394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).