N-(1-cyanopyrrolidin-3-yl)-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide

C18H15F3N4O2 — CID 168909159

IUPACN-(1-cyanopyrrolidin-3-yl)-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
SMILESN#CN1CCC(NC(=O)c2cc(-c3cccc(OC(F)(F)F)c3)ccn2)C1
InChIInChI=1S/C18H15F3N4O2/c19-18(20,21)27-15-3-1-2-12(8-15)13-4-6-23-16(9-13)17(26)24-14-5-7-25(10-14)11-22/h1-4,6,8-9,14H,5,7,10H2,(H,24,26)
InChIKeyWRLOWQBEIPMSRJ-UHFFFAOYSA-N
MW376.34 g/mol
LogP2.93
Rot. Bonds4

About N-(1-cyanopyrrolidin-3-yl)-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide

N-(1-cyanopyrrolidin-3-yl)-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide (PubChem CID 168909159) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is N-(1-cyanopyrrolidin-3-yl)-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyanopyrrolidin-3-yl)-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
PubChem CID168909159
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC NameN-(1-cyanopyrrolidin-3-yl)-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
SMILESN#CN1CCC(NC(=O)c2cc(-c3cccc(OC(F)(F)F)c3)ccn2)C1
InChIInChI=1S/C18H15F3N4O2/c19-18(20,21)27-15-3-1-2-12(8-15)13-4-6-23-16(9-13)17(26)24-14-5-7-25(10-14)11-22/h1-4,6,8-9,14H,5,7,10H2,(H,24,26)
InChIKeyWRLOWQBEIPMSRJ-UHFFFAOYSA-N
XLogP2.93
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

N-pyrrolidin-3-yl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 168909169
N-(1-cyanopyrrolidin-3-yl)-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide;methoxymethane
CID 156881467
N-[(3R)-1-cyanopyrrolidin-3-yl]-4-pyridin-2-ylpyridine-2-carboxamide
CID 122590587
N-(1-cyanopyrrolidin-3-yl)-5-[2-cyclopropyl-5-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-3-carboxamide
CID 168909039
2-(3-cyanophenyl)-N-(1-cyanopyrrolidin-3-yl)pyridine-4-carboxamide
CID 155229705
N-(1-cyanopyrrolidin-3-yl)-4-[methyl(2-methylpropanoyl)amino]pyridine-2-carboxamide
CID 134363605
N-[(3R)-1-cyanopyrrolidin-3-yl]-4-[methyl(2-methylpropyl)amino]pyridine-2-carboxamide
CID 175494441
N-(1-cyanopyrrolidin-3-yl)-5-phenylpyrimidine-2-carboxamide
CID 122590469
N-(1-cyanopyrrolidin-3-yl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 122590667
N-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 168909107
N-[(3R)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 96547281
5-[2-chloro-5-(trifluoromethoxy)phenyl]-N-(1-cyanopyrrolidin-3-yl)-1,3,4-oxadiazole-2-carboxamide;(Z)-N'-methylethene-1,2-diamine
CID 168909080

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopyrrolidin-3-yl)-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-(1-cyanopyrrolidin-3-yl)-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide (CID 168909159) is N-(1-cyanopyrrolidin-3-yl)-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(1-cyanopyrrolidin-3-yl)-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-(1-cyanopyrrolidin-3-yl)-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide is N#CN1CCC(NC(=O)c2cc(-c3cccc(OC(F)(F)F)c3)ccn2)C1.
What is the InChIKey of N-(1-cyanopyrrolidin-3-yl)-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide?
The InChIKey is WRLOWQBEIPMSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c19-18(20,21)27-15-3-1-2-12(8-15)13-4-6-23-16(9-13)17(26)24-14-5-7-25(10-14)11-22/h1-4,6,8-9,14H,5,7,10H2,(H,24,26).
What are the key properties of N-(1-cyanopyrrolidin-3-yl)-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide?
N-(1-cyanopyrrolidin-3-yl)-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide has a molecular weight of 376.34 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopyrrolidin-3-yl)-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 168909159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).