[3-[[5-(trifluoromethoxy)-2-pyridinyl]carbamoyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid

C13H12F3N3O4 — CID 155092527

IUPAC[3-[[5-(trifluoromethoxy)-2-pyridinyl]carbamoyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid
SMILESO=C(O)NC12CC(C(=O)Nc3ccc(OC(F)(F)F)cn3)(C1)C2
InChIInChI=1S/C13H12F3N3O4/c14-13(15,16)23-7-1-2-8(17-3-7)18-9(20)11-4-12(5-11,6-11)19-10(21)22/h1-3,19H,4-6H2,(H,21,22)(H,17,18,20)
InChIKeyLAHNGRWIIHQWGG-UHFFFAOYSA-N
MW331.25 g/mol
LogP2.11
Rot. Bonds4

About [3-[[5-(trifluoromethoxy)-2-pyridinyl]carbamoyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid

[3-[[5-(trifluoromethoxy)-2-pyridinyl]carbamoyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid (PubChem CID 155092527) has the molecular formula C13H12F3N3O4 and a molecular weight of 331.25 g/mol. Its IUPAC name is [3-[[5-(trifluoromethoxy)-2-pyridinyl]carbamoyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid.

Molecular Properties

Compound Name[3-[[5-(trifluoromethoxy)-2-pyridinyl]carbamoyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid
PubChem CID155092527
Molecular FormulaC13H12F3N3O4
Molecular Weight331.25 g/mol
Exact Mass331.08
IUPAC Name[3-[[5-(trifluoromethoxy)-2-pyridinyl]carbamoyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid
SMILESO=C(O)NC12CC(C(=O)Nc3ccc(OC(F)(F)F)cn3)(C1)C2
InChIInChI=1S/C13H12F3N3O4/c14-13(15,16)23-7-1-2-8(17-3-7)18-9(20)11-4-12(5-11,6-11)19-10(21)22/h1-3,19H,4-6H2,(H,21,22)(H,17,18,20)
InChIKeyLAHNGRWIIHQWGG-UHFFFAOYSA-N
XLogP2.11
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [3-[[5-(trifluoromethoxy)-2-pyridinyl]carbamoyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid with MolForge

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Related Compounds

3-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetyl]amino]-N-[5-(trifluoromethoxy)-2-pyridinyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 154698458
4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-N-[5-(2-fluoropropan-2-yloxy)-2-pyridinyl]bicyclo[2.1.1]hexane-1-carboxamide
CID 170086555
N-(cyclopropylmethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 133489171
3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxamide
CID 142585993
ethane;N-propan-2-yl-5-(trifluoromethoxy)pyridin-2-amine
CID 169238058
N-cyclohexyl-3-[[5-(trifluoromethoxy)-2-pyridinyl]amino]propanamide
CID 133490173
N-piperidin-3-yl-5-(trifluoromethoxy)pyridin-2-amine
CID 114280857
N-methyl-2-[[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]prop-2-enamide
CID 144695687
2-(1H-indol-5-yl)-N-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]acetamide
CID 68991837
1-tert-butyl-4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]pyrrolidin-2-one
CID 133492261
N-[2-(6-methyl-3-pyridinyl)ethyl]-5-(trifluoromethoxy)pyridin-2-amine
CID 133487556
N-ethyl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine
CID 114280854

Frequently Asked Questions

What is the IUPAC name of [3-[[5-(trifluoromethoxy)-2-pyridinyl]carbamoyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid?
The IUPAC name of [3-[[5-(trifluoromethoxy)-2-pyridinyl]carbamoyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid (CID 155092527) is [3-[[5-(trifluoromethoxy)-2-pyridinyl]carbamoyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid.
What is the SMILES notation for [3-[[5-(trifluoromethoxy)-2-pyridinyl]carbamoyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid?
The canonical SMILES for [3-[[5-(trifluoromethoxy)-2-pyridinyl]carbamoyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid is O=C(O)NC12CC(C(=O)Nc3ccc(OC(F)(F)F)cn3)(C1)C2.
What is the InChIKey of [3-[[5-(trifluoromethoxy)-2-pyridinyl]carbamoyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid?
The InChIKey is LAHNGRWIIHQWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O4/c14-13(15,16)23-7-1-2-8(17-3-7)18-9(20)11-4-12(5-11,6-11)19-10(21)22/h1-3,19H,4-6H2,(H,21,22)(H,17,18,20).
What are the key properties of [3-[[5-(trifluoromethoxy)-2-pyridinyl]carbamoyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid?
[3-[[5-(trifluoromethoxy)-2-pyridinyl]carbamoyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid has a molecular weight of 331.25 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[5-(trifluoromethoxy)-2-pyridinyl]carbamoyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid is sourced from PubChem (CID 155092527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).