N-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-carboxamide

C11H12F3N3O — CID 115778116

IUPACN-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)nc1)N1CCCC1
InChIInChI=1S/C11H12F3N3O/c12-11(13,14)9-4-3-8(7-15-9)16-10(18)17-5-1-2-6-17/h3-4,7H,1-2,5-6H2,(H,16,18)
InChIKeyGMIYFBLVQJIYBR-UHFFFAOYSA-N
MW259.23 g/mol
LogP2.73
Rot. Bonds1

About N-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-carboxamide

N-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-carboxamide (PubChem CID 115778116) has the molecular formula C11H12F3N3O and a molecular weight of 259.23 g/mol. Its IUPAC name is N-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-carboxamide
PubChem CID115778116
Molecular FormulaC11H12F3N3O
Molecular Weight259.23 g/mol
Exact Mass259.09
IUPAC NameN-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)nc1)N1CCCC1
InChIInChI=1S/C11H12F3N3O/c12-11(13,14)9-4-3-8(7-15-9)16-10(18)17-5-1-2-6-17/h3-4,7H,1-2,5-6H2,(H,16,18)
InChIKeyGMIYFBLVQJIYBR-UHFFFAOYSA-N
XLogP2.73
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-pyridin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxamide
CID 136536230
4-(pyridin-4-ylmethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxamide
CID 126774966
N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 59578511
N-[6-(trifluoromethyl)-3-pyridinyl]cyclopropanecarboxamide
CID 82707218
2-[5-(azocane-1-carbonylamino)-2-pyridinyl]acetic acid
CID 107340448
4-[(3-methyl-1-benzothiophen-2-yl)methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxamide
CID 45272503
2-bromo-2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 114329026
2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 82706557
4-(pyrrolidine-1-carbonylamino)benzoic acid
CID 39732858
N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 47456948
N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47193651
2-[2-oxo-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]sulfanylacetic acid
CID 113427832

Frequently Asked Questions

What is the IUPAC name of N-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-carboxamide (CID 115778116) is N-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)nc1)N1CCCC1.
What is the InChIKey of N-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-carboxamide?
The InChIKey is GMIYFBLVQJIYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O/c12-11(13,14)9-4-3-8(7-15-9)16-10(18)17-5-1-2-6-17/h3-4,7H,1-2,5-6H2,(H,16,18).
What are the key properties of N-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-carboxamide?
N-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-carboxamide has a molecular weight of 259.23 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 115778116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).