N-[[4-[[5-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide

C24H28F3N5O2 — CID 166062185

IUPACN-[[4-[[5-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(Nc2ccc(CNC(=O)C3CNC(=O)C3)cc2)cnc1N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C24H28F3N5O2/c1-15-10-20(14-29-22(15)32-8-6-18(7-9-32)24(25,26)27)31-19-4-2-16(3-5-19)12-30-23(34)17-11-21(33)28-13-17/h2-5,10,14,17-18,31H,6-9,11-13H2,1H3,(H,28,33)(H,30,34)
InChIKeyYGCKFNQKNJJNSC-UHFFFAOYSA-N
MW475.52 g/mol
LogP3.66
Rot. Bonds6

About N-[[4-[[5-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide

N-[[4-[[5-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 166062185) has the molecular formula C24H28F3N5O2 and a molecular weight of 475.52 g/mol. Its IUPAC name is N-[[4-[[5-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[[5-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID166062185
Molecular FormulaC24H28F3N5O2
Molecular Weight475.52 g/mol
Exact Mass475.22
IUPAC NameN-[[4-[[5-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(Nc2ccc(CNC(=O)C3CNC(=O)C3)cc2)cnc1N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C24H28F3N5O2/c1-15-10-20(14-29-22(15)32-8-6-18(7-9-32)24(25,26)27)31-19-4-2-16(3-5-19)12-30-23(34)17-11-21(33)28-13-17/h2-5,10,14,17-18,31H,6-9,11-13H2,1H3,(H,28,33)(H,30,34)
InChIKeyYGCKFNQKNJJNSC-UHFFFAOYSA-N
XLogP3.66
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[4-[[5-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

5-oxo-N-[[4-[[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-3-carboxamide
CID 166062227
N-[[4-[2-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 170180044
N-[[4-[[5-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]amino]phenyl]methyl]pyrrolidine-3-carboxamide
CID 166062559
N-[[4-[2-fluoro-6-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 166062487
N-[[4-[[6-(4-ethylpiperidin-1-yl)-2-methyl-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 166062116
N-[[4-[4-(diethylamino)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 166062467
N-[(6-methyl-3-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
CID 113223600
tert-butyl N-[[4-[[5-[4-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]amino]phenyl]methyl]carbamate
CID 166062430
N-[[2-fluoro-4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 170180091
1-ethyl-N-[[2-methyl-4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 166062458
N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 168752889
5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 78982237

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[5-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[[4-[[5-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 166062185) is N-[[4-[[5-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[4-[[5-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[[4-[[5-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide is Cc1cc(Nc2ccc(CNC(=O)C3CNC(=O)C3)cc2)cnc1N1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-[[4-[[5-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YGCKFNQKNJJNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N5O2/c1-15-10-20(14-29-22(15)32-8-6-18(7-9-32)24(25,26)27)31-19-4-2-16(3-5-19)12-30-23(34)17-11-21(33)28-13-17/h2-5,10,14,17-18,31H,6-9,11-13H2,1H3,(H,28,33)(H,30,34).
What are the key properties of N-[[4-[[5-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
N-[[4-[[5-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 475.52 g/mol, XLogP of 3.66, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[5-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 166062185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).