N-[(4-chlorophenyl)methyl]-4-[[3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridine-2-carboxamide

C24H22ClF3N4OS — CID 141097427

IUPACN-[(4-chlorophenyl)methyl]-4-[[3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cc(CN2CCN(c3ccc(SC(F)(F)F)cc3)C2)ccn1
InChIInChI=1S/C24H22ClF3N4OS/c25-19-3-1-17(2-4-19)14-30-23(33)22-13-18(9-10-29-22)15-31-11-12-32(16-31)20-5-7-21(8-6-20)34-24(26,27)28/h1-10,13H,11-12,14-16H2,(H,30,33)
InChIKeyZUOOITCXDSKKSU-UHFFFAOYSA-N
MW506.98 g/mol
LogP5.56
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-4-[[3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridine-2-carboxamide

N-[(4-chlorophenyl)methyl]-4-[[3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridine-2-carboxamide (PubChem CID 141097427) has the molecular formula C24H22ClF3N4OS and a molecular weight of 506.98 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-[[3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-[[3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridine-2-carboxamide
PubChem CID141097427
Molecular FormulaC24H22ClF3N4OS
Molecular Weight506.98 g/mol
Exact Mass506.12
IUPAC NameN-[(4-chlorophenyl)methyl]-4-[[3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cc(CN2CCN(c3ccc(SC(F)(F)F)cc3)C2)ccn1
InChIInChI=1S/C24H22ClF3N4OS/c25-19-3-1-17(2-4-19)14-30-23(33)22-13-18(9-10-29-22)15-31-11-12-32(16-31)20-5-7-21(8-6-20)34-24(26,27)28/h1-10,13H,11-12,14-16H2,(H,30,33)
InChIKeyZUOOITCXDSKKSU-UHFFFAOYSA-N
XLogP5.56
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.98
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-[[3-[4-(trifluoromethylsulfonyl)phenyl]-2H-imidazol-1-yl]methyl]pyridine-2-carboxamide
CID 141097371
N-benzyl-4-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 166208623
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(trifluoromethylsulfanyl)benzamide
CID 55742686
N-benzyl-3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]benzamide
CID 42858908
N-[(4-fluorophenyl)methyl]-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109211394
N-[(4-chlorophenyl)methyl]-2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 53161103
N-[(4-chlorophenyl)methyl]-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109211807
4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109213263
N-benzyl-2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazole-4-carboxamide
CID 46162321
1-(4-chlorophenyl)-3-[[4-(trifluoromethylsulfanyl)phenyl]methyl]urea
CID 172617529
2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085399
4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 43088257

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-[[3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-[[3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridine-2-carboxamide (CID 141097427) is N-[(4-chlorophenyl)methyl]-4-[[3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-[[3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-[[3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridine-2-carboxamide is O=C(NCc1ccc(Cl)cc1)c1cc(CN2CCN(c3ccc(SC(F)(F)F)cc3)C2)ccn1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-[[3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridine-2-carboxamide?
The InChIKey is ZUOOITCXDSKKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF3N4OS/c25-19-3-1-17(2-4-19)14-30-23(33)22-13-18(9-10-29-22)15-31-11-12-32(16-31)20-5-7-21(8-6-20)34-24(26,27)28/h1-10,13H,11-12,14-16H2,(H,30,33).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-[[3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridine-2-carboxamide?
N-[(4-chlorophenyl)methyl]-4-[[3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridine-2-carboxamide has a molecular weight of 506.98 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-[[3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 141097427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).