2-[(5-oxopyrrolidin-2-yl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C18H17F3N4O2 — CID 122535121

IUPAC2-[(5-oxopyrrolidin-2-yl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C1CCC(CNc2ncccc2C(=O)Nc2ccc(C(F)(F)F)cc2)N1
InChIInChI=1S/C18H17F3N4O2/c19-18(20,21)11-3-5-12(6-4-11)25-17(27)14-2-1-9-22-16(14)23-10-13-7-8-15(26)24-13/h1-6,9,13H,7-8,10H2,(H,22,23)(H,24,26)(H,25,27)
InChIKeySFLIRWFTGAXSDZ-UHFFFAOYSA-N
MW378.35 g/mol
LogP3.04
Rot. Bonds5

About 2-[(5-oxopyrrolidin-2-yl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

2-[(5-oxopyrrolidin-2-yl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 122535121) has the molecular formula C18H17F3N4O2 and a molecular weight of 378.35 g/mol. Its IUPAC name is 2-[(5-oxopyrrolidin-2-yl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(5-oxopyrrolidin-2-yl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID122535121
Molecular FormulaC18H17F3N4O2
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC Name2-[(5-oxopyrrolidin-2-yl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C1CCC(CNc2ncccc2C(=O)Nc2ccc(C(F)(F)F)cc2)N1
InChIInChI=1S/C18H17F3N4O2/c19-18(20,21)11-3-5-12(6-4-11)25-17(27)14-2-1-9-22-16(14)23-10-13-7-8-15(26)24-13/h1-6,9,13H,7-8,10H2,(H,22,23)(H,24,26)(H,25,27)
InChIKeySFLIRWFTGAXSDZ-UHFFFAOYSA-N
XLogP3.04
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-oxopyrrolidin-2-yl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-[(5-oxopyrrolidin-2-yl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 122535121) is 2-[(5-oxopyrrolidin-2-yl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(5-oxopyrrolidin-2-yl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[(5-oxopyrrolidin-2-yl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is O=C1CCC(CNc2ncccc2C(=O)Nc2ccc(C(F)(F)F)cc2)N1.
What is the InChIKey of 2-[(5-oxopyrrolidin-2-yl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is SFLIRWFTGAXSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2/c19-18(20,21)11-3-5-12(6-4-11)25-17(27)14-2-1-9-22-16(14)23-10-13-7-8-15(26)24-13/h1-6,9,13H,7-8,10H2,(H,22,23)(H,24,26)(H,25,27).
What are the key properties of 2-[(5-oxopyrrolidin-2-yl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
2-[(5-oxopyrrolidin-2-yl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 378.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxopyrrolidin-2-yl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 122535121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).