N-[3-[[[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]methyl]phenyl]pyridine-4-carboxamide

C25H21F3N4O3 — CID 55904734

IUPACN-[3-[[[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]methyl]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(CNC(=O)C2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c1)c1ccncc1
InChIInChI=1S/C25H21F3N4O3/c26-25(27,28)19-4-2-6-21(13-19)32-15-18(12-22(32)33)23(34)30-14-16-3-1-5-20(11-16)31-24(35)17-7-9-29-10-8-17/h1-11,13,18H,12,14-15H2,(H,30,34)(H,31,35)
InChIKeyTWZBKQKRUUUVNK-UHFFFAOYSA-N
MW482.46 g/mol
LogP4.02
Rot. Bonds6

About N-[3-[[[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]methyl]phenyl]pyridine-4-carboxamide

N-[3-[[[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]methyl]phenyl]pyridine-4-carboxamide (PubChem CID 55904734) has the molecular formula C25H21F3N4O3 and a molecular weight of 482.46 g/mol. Its IUPAC name is N-[3-[[[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]methyl]phenyl]pyridine-4-carboxamide
PubChem CID55904734
Molecular FormulaC25H21F3N4O3
Molecular Weight482.46 g/mol
Exact Mass482.16
IUPAC NameN-[3-[[[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]methyl]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(CNC(=O)C2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c1)c1ccncc1
InChIInChI=1S/C25H21F3N4O3/c26-25(27,28)19-4-2-6-21(13-19)32-15-18(12-22(32)33)23(34)30-14-16-3-1-5-20(11-16)31-24(35)17-7-9-29-10-8-17/h1-11,13,18H,12,14-15H2,(H,30,34)(H,31,35)
InChIKeyTWZBKQKRUUUVNK-UHFFFAOYSA-N
XLogP4.02
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.46
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903087
N-[(4-chlorophenyl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188634
5-oxo-N-(pyridin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188698
N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42961808
1-(4-methoxyphenyl)-5-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 46109930
N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 55660487
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 55749894
(3R)-1-(3-acetamidophenyl)-N-benzyl-5-oxopyrrolidine-3-carboxamide
CID 92727126
(3R)-1-(3-acetamidophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 92719769
(3S)-1-(3-chlorophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 9004872
5-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46789600
(3R)-1-(3-acetamidophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 92727160

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]methyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[[[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]methyl]phenyl]pyridine-4-carboxamide (CID 55904734) is N-[3-[[[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]methyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[[[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]methyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[[[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]methyl]phenyl]pyridine-4-carboxamide is O=C(Nc1cccc(CNC(=O)C2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c1)c1ccncc1.
What is the InChIKey of N-[3-[[[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]methyl]phenyl]pyridine-4-carboxamide?
The InChIKey is TWZBKQKRUUUVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O3/c26-25(27,28)19-4-2-6-21(13-19)32-15-18(12-22(32)33)23(34)30-14-16-3-1-5-20(11-16)31-24(35)17-7-9-29-10-8-17/h1-11,13,18H,12,14-15H2,(H,30,34)(H,31,35).
What are the key properties of N-[3-[[[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]methyl]phenyl]pyridine-4-carboxamide?
N-[3-[[[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]methyl]phenyl]pyridine-4-carboxamide has a molecular weight of 482.46 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 55904734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).