5-[1-(3-chloro-4-cyanophenyl)-3-hydroxypyrrolidin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

C19H16ClF3N4O2 — CID 143882115

IUPAC5-[1-(3-chloro-4-cyanophenyl)-3-hydroxypyrrolidin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESN#Cc1ccc(N2CCC(O)(c3ccc(C(=O)NCC(F)(F)F)nc3)C2)cc1Cl
InChIInChI=1S/C19H16ClF3N4O2/c20-15-7-14(3-1-12(15)8-24)27-6-5-18(29,11-27)13-2-4-16(25-9-13)17(28)26-10-19(21,22)23/h1-4,7,9,29H,5-6,10-11H2,(H,26,28)
InChIKeyRVWYQMCUEBTHBY-UHFFFAOYSA-N
MW424.81 g/mol
LogP3.00
Rot. Bonds4

About 5-[1-(3-chloro-4-cyanophenyl)-3-hydroxypyrrolidin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

5-[1-(3-chloro-4-cyanophenyl)-3-hydroxypyrrolidin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (PubChem CID 143882115) has the molecular formula C19H16ClF3N4O2 and a molecular weight of 424.81 g/mol. Its IUPAC name is 5-[1-(3-chloro-4-cyanophenyl)-3-hydroxypyrrolidin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[1-(3-chloro-4-cyanophenyl)-3-hydroxypyrrolidin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
PubChem CID143882115
Molecular FormulaC19H16ClF3N4O2
Molecular Weight424.81 g/mol
Exact Mass424.09
IUPAC Name5-[1-(3-chloro-4-cyanophenyl)-3-hydroxypyrrolidin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESN#Cc1ccc(N2CCC(O)(c3ccc(C(=O)NCC(F)(F)F)nc3)C2)cc1Cl
InChIInChI=1S/C19H16ClF3N4O2/c20-15-7-14(3-1-12(15)8-24)27-6-5-18(29,11-27)13-2-4-16(25-9-13)17(28)26-10-19(21,22)23/h1-4,7,9,29H,5-6,10-11H2,(H,26,28)
InChIKeyRVWYQMCUEBTHBY-UHFFFAOYSA-N
XLogP3.00
TPSA89.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.81
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-chloro-4-cyanophenyl)-3-hydroxypyrrolidin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The IUPAC name of 5-[1-(3-chloro-4-cyanophenyl)-3-hydroxypyrrolidin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (CID 143882115) is 5-[1-(3-chloro-4-cyanophenyl)-3-hydroxypyrrolidin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[1-(3-chloro-4-cyanophenyl)-3-hydroxypyrrolidin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[1-(3-chloro-4-cyanophenyl)-3-hydroxypyrrolidin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is N#Cc1ccc(N2CCC(O)(c3ccc(C(=O)NCC(F)(F)F)nc3)C2)cc1Cl.
What is the InChIKey of 5-[1-(3-chloro-4-cyanophenyl)-3-hydroxypyrrolidin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The InChIKey is RVWYQMCUEBTHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N4O2/c20-15-7-14(3-1-12(15)8-24)27-6-5-18(29,11-27)13-2-4-16(25-9-13)17(28)26-10-19(21,22)23/h1-4,7,9,29H,5-6,10-11H2,(H,26,28).
What are the key properties of 5-[1-(3-chloro-4-cyanophenyl)-3-hydroxypyrrolidin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
5-[1-(3-chloro-4-cyanophenyl)-3-hydroxypyrrolidin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide has a molecular weight of 424.81 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-chloro-4-cyanophenyl)-3-hydroxypyrrolidin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is sourced from PubChem (CID 143882115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).