N-cyclopropyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide

C14H16F3N3O — CID 166603071

IUPACN-cyclopropyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
SMILESO=C(NC1CC1)C1CCN(c2cc(C(F)(F)F)ccn2)C1
InChIInChI=1S/C14H16F3N3O/c15-14(16,17)10-3-5-18-12(7-10)20-6-4-9(8-20)13(21)19-11-1-2-11/h3,5,7,9,11H,1-2,4,6,8H2,(H,19,21)
InChIKeyDUGDSZJSNDZSTD-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.21
Rot. Bonds3

About N-cyclopropyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide

N-cyclopropyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide (PubChem CID 166603071) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is N-cyclopropyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
PubChem CID166603071
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC NameN-cyclopropyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
SMILESO=C(NC1CC1)C1CCN(c2cc(C(F)(F)F)ccn2)C1
InChIInChI=1S/C14H16F3N3O/c15-14(16,17)10-3-5-18-12(7-10)20-6-4-9(8-20)13(21)19-11-1-2-11/h3,5,7,9,11H,1-2,4,6,8H2,(H,19,21)
InChIKeyDUGDSZJSNDZSTD-UHFFFAOYSA-N
XLogP2.21
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamic acid
CID 67244637
[1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanamine
CID 66330460
1-pyrazin-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-3-carboxamide
CID 46474959
(3R,4R)-4-(hydroxymethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-ol
CID 155915627
(4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone
CID 163354717
2-(4-bromopiperidin-1-yl)-4-(trifluoromethyl)pyridine
CID 80674656
N-cyclobutyl-1-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 110269436
(2S)-4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylic acid
CID 97108044
1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboximidamide
CID 66329242
N-methyl-N-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]cyclobutanecarboxamide
CID 166606013
2-[4-(bromomethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine
CID 80669144
1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;dihydrochloride
CID 67243169

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide (CID 166603071) is N-cyclopropyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide is O=C(NC1CC1)C1CCN(c2cc(C(F)(F)F)ccn2)C1.
What is the InChIKey of N-cyclopropyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide?
The InChIKey is DUGDSZJSNDZSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c15-14(16,17)10-3-5-18-12(7-10)20-6-4-9(8-20)13(21)19-11-1-2-11/h3,5,7,9,11H,1-2,4,6,8H2,(H,19,21).
What are the key properties of N-cyclopropyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide?
N-cyclopropyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide has a molecular weight of 299.30 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 166603071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).