5-[4-[(2-oxopyrrolidin-1-yl)methyl]triazol-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide

C26H26F3N7O3 — CID 166357937

IUPAC5-[4-[(2-oxopyrrolidin-1-yl)methyl]triazol-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
SMILESO=C(NC(CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1cncc(-n2cc(CN3CCCC3=O)nn2)c1
InChIInChI=1S/C26H26F3N7O3/c27-26(28,29)19-5-1-4-17(10-19)22(16-35-9-3-7-24(35)38)31-25(39)18-11-21(13-30-12-18)36-15-20(32-33-36)14-34-8-2-6-23(34)37/h1,4-5,10-13,15,22H,2-3,6-9,14,16H2,(H,31,39)
InChIKeyQHDSHRUQNORXJN-UHFFFAOYSA-N
MW541.53 g/mol
LogP2.90
Rot. Bonds8

About 5-[4-[(2-oxopyrrolidin-1-yl)methyl]triazol-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide

5-[4-[(2-oxopyrrolidin-1-yl)methyl]triazol-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide (PubChem CID 166357937) has the molecular formula C26H26F3N7O3 and a molecular weight of 541.53 g/mol. Its IUPAC name is 5-[4-[(2-oxopyrrolidin-1-yl)methyl]triazol-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-[(2-oxopyrrolidin-1-yl)methyl]triazol-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
PubChem CID166357937
Molecular FormulaC26H26F3N7O3
Molecular Weight541.53 g/mol
Exact Mass541.20
IUPAC Name5-[4-[(2-oxopyrrolidin-1-yl)methyl]triazol-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
SMILESO=C(NC(CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1cncc(-n2cc(CN3CCCC3=O)nn2)c1
InChIInChI=1S/C26H26F3N7O3/c27-26(28,29)19-5-1-4-17(10-19)22(16-35-9-3-7-24(35)38)31-25(39)18-11-21(13-30-12-18)36-15-20(32-33-36)14-34-8-2-6-23(34)37/h1,4-5,10-13,15,22H,2-3,6-9,14,16H2,(H,31,39)
InChIKeyQHDSHRUQNORXJN-UHFFFAOYSA-N
XLogP2.90
TPSA113.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.53
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2-oxopyrrolidin-1-yl)methyl]triazol-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-[4-[(2-oxopyrrolidin-1-yl)methyl]triazol-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide (CID 166357937) is 5-[4-[(2-oxopyrrolidin-1-yl)methyl]triazol-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-[(2-oxopyrrolidin-1-yl)methyl]triazol-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[4-[(2-oxopyrrolidin-1-yl)methyl]triazol-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide is O=C(NC(CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1cncc(-n2cc(CN3CCCC3=O)nn2)c1.
What is the InChIKey of 5-[4-[(2-oxopyrrolidin-1-yl)methyl]triazol-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide?
The InChIKey is QHDSHRUQNORXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N7O3/c27-26(28,29)19-5-1-4-17(10-19)22(16-35-9-3-7-24(35)38)31-25(39)18-11-21(13-30-12-18)36-15-20(32-33-36)14-34-8-2-6-23(34)37/h1,4-5,10-13,15,22H,2-3,6-9,14,16H2,(H,31,39).
What are the key properties of 5-[4-[(2-oxopyrrolidin-1-yl)methyl]triazol-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide?
5-[4-[(2-oxopyrrolidin-1-yl)methyl]triazol-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide has a molecular weight of 541.53 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2-oxopyrrolidin-1-yl)methyl]triazol-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 166357937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).