1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclopropane-1-carboxamide

C11H11F3N2O — CID 176896908

IUPAC1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(Cc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)7-1-2-8(16-6-7)5-10(3-4-10)9(15)17/h1-2,6H,3-5H2,(H2,15,17)
InChIKeyUAIRFEDYYPLTOE-UHFFFAOYSA-N
MW244.22 g/mol
LogP1.91
Rot. Bonds3

About 1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclopropane-1-carboxamide

1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclopropane-1-carboxamide (PubChem CID 176896908) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclopropane-1-carboxamide
PubChem CID176896908
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(Cc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)7-1-2-8(16-6-7)5-10(3-4-10)9(15)17/h1-2,6H,3-5H2,(H2,15,17)
InChIKeyUAIRFEDYYPLTOE-UHFFFAOYSA-N
XLogP1.91
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-tert-butylcyclopropyl)methyl]-5-(trifluoromethyl)pyridine
CID 118329262
4-(2H-triazol-4-ylmethyl)-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidine-4-carboxylic acid
CID 166291044
4-[5-(trifluoromethyl)-2-pyridinyl]butan-2-one
CID 12035528
amino-[5-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 174570503
[5-(trifluoromethyl)-2-pyridinyl]methanol sulfate
CID 18983902
1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 23027904
N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide
CID 154512497
1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylic acid
CID 112706925
1-amino-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclopropane-1-carboxamide
CID 119853879
4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine
CID 73439156
N-[(4-hydroxyoxan-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115664962
3-fluoropropyl N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]carbamate
CID 136548083

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclopropane-1-carboxamide (CID 176896908) is 1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclopropane-1-carboxamide is NC(=O)C1(Cc2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is UAIRFEDYYPLTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c12-11(13,14)7-1-2-8(16-6-7)5-10(3-4-10)9(15)17/h1-2,6H,3-5H2,(H2,15,17).
What are the key properties of 1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclopropane-1-carboxamide?
1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 244.22 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 176896908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).