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

C18H16F3N3O2 — CID 166241121

IUPACN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2=O)cc1)c1cnccc1C(F)(F)F
InChIInChI=1S/C18H16F3N3O2/c19-18(20,21)15-7-8-22-11-14(15)17(26)23-10-12-3-5-13(6-4-12)24-9-1-2-16(24)25/h3-8,11H,1-2,9-10H2,(H,23,26)
InChIKeyRMJDNXVSDTYZSI-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.16
Rot. Bonds4

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

N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 166241121) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID166241121
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC NameN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2=O)cc1)c1cnccc1C(F)(F)F
InChIInChI=1S/C18H16F3N3O2/c19-18(20,21)15-7-8-22-11-14(15)17(26)23-10-12-3-5-13(6-4-12)24-9-1-2-16(24)25/h3-8,11H,1-2,9-10H2,(H,23,26)
InChIKeyRMJDNXVSDTYZSI-UHFFFAOYSA-N
XLogP3.16
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-thiazole-4-carboxamide
CID 154845834
2-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589720
2,4-difluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 1259715
4-chloro-2-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589680
4-[[4-(2-oxopiperidin-1-yl)phenyl]methylamino]pyridine-3-carboxamide
CID 133468482
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide
CID 8588320
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 17431965
2,5-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiophene-3-carboxamide
CID 39997103
N-[(4-fluorophenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9270495
5-ethyl-1-(4-fluorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 46589066
5-hydroxy-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 75370768

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(trifluoromethyl)pyridine-3-carboxamide (CID 166241121) is N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(trifluoromethyl)pyridine-3-carboxamide is O=C(NCc1ccc(N2CCCC2=O)cc1)c1cnccc1C(F)(F)F.
What is the InChIKey of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is RMJDNXVSDTYZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c19-18(20,21)15-7-8-22-11-14(15)17(26)23-10-12-3-5-13(6-4-12)24-9-1-2-16(24)25/h3-8,11H,1-2,9-10H2,(H,23,26).
What are the key properties of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 363.34 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 166241121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).