N-methyl-N-phenyl-4-[[3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]pyridine-3-carboxamide

C24H23F3N4O3S — CID 141097224

IUPACN-methyl-N-phenyl-4-[[3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]pyridine-3-carboxamide
SMILESCN(C(=O)c1cnccc1CN1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1)c1ccccc1
InChIInChI=1S/C24H23F3N4O3S/c1-29(19-5-3-2-4-6-19)23(32)22-15-28-12-11-18(22)16-30-13-14-31(17-30)20-7-9-21(10-8-20)35(33,34)24(25,26)27/h2-12,15H,13-14,16-17H2,1H3
InChIKeyFTJIHRGAUMPWIU-UHFFFAOYSA-N
MW504.53 g/mol
LogP3.93
Rot. Bonds6

About N-methyl-N-phenyl-4-[[3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]pyridine-3-carboxamide

N-methyl-N-phenyl-4-[[3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]pyridine-3-carboxamide (PubChem CID 141097224) has the molecular formula C24H23F3N4O3S and a molecular weight of 504.53 g/mol. Its IUPAC name is N-methyl-N-phenyl-4-[[3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-4-[[3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]pyridine-3-carboxamide
PubChem CID141097224
Molecular FormulaC24H23F3N4O3S
Molecular Weight504.53 g/mol
Exact Mass504.14
IUPAC NameN-methyl-N-phenyl-4-[[3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]pyridine-3-carboxamide
SMILESCN(C(=O)c1cnccc1CN1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1)c1ccccc1
InChIInChI=1S/C24H23F3N4O3S/c1-29(19-5-3-2-4-6-19)23(32)22-15-28-12-11-18(22)16-30-13-14-31(17-30)20-7-9-21(10-8-20)35(33,34)24(25,26)27/h2-12,15H,13-14,16-17H2,1H3
InChIKeyFTJIHRGAUMPWIU-UHFFFAOYSA-N
XLogP3.93
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.53
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]pyridine-3-carboxylate
CID 141097685
[4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 141097219
4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridin-3-amine
CID 141097465
N,N-dimethyl-1-[4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]-2H-imidazol-1-yl]methyl]-3-pyridinyl]methanamine
CID 141097737
3-chloro-N-methyl-N-phenylpyridine-4-carboxamide
CID 66463019
4-hydroxy-5-methyl-1-[(3-phenyl-4-pyridinyl)methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 91450057
4-[[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridine-3-carboxamide
CID 141097158
N-methyl-N-phenyl-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18167870
5,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
CID 10482803
N-(2,6-diethylphenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
CID 2727017
2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109261095
N-methyl-2-(4-methylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide
CID 84576816

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-4-[[3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-methyl-N-phenyl-4-[[3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]pyridine-3-carboxamide (CID 141097224) is N-methyl-N-phenyl-4-[[3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-N-phenyl-4-[[3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-N-phenyl-4-[[3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]pyridine-3-carboxamide is CN(C(=O)c1cnccc1CN1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-4-[[3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]pyridine-3-carboxamide?
The InChIKey is FTJIHRGAUMPWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O3S/c1-29(19-5-3-2-4-6-19)23(32)22-15-28-12-11-18(22)16-30-13-14-31(17-30)20-7-9-21(10-8-20)35(33,34)24(25,26)27/h2-12,15H,13-14,16-17H2,1H3.
What are the key properties of N-methyl-N-phenyl-4-[[3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]pyridine-3-carboxamide?
N-methyl-N-phenyl-4-[[3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]pyridine-3-carboxamide has a molecular weight of 504.53 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-4-[[3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 141097224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).