N-[(4-chlorophenyl)methyl]-4-[[3-[4-(trifluoromethylsulfonyl)phenyl]-2H-imidazol-1-yl]methyl]pyridine-2-carboxamide

C24H20ClF3N4O3S — CID 141097371

IUPACN-[(4-chlorophenyl)methyl]-4-[[3-[4-(trifluoromethylsulfonyl)phenyl]-2H-imidazol-1-yl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cc(CN2C=CN(c3ccc(S(=O)(=O)C(F)(F)F)cc3)C2)ccn1
InChIInChI=1S/C24H20ClF3N4O3S/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)36(34,35)24(26,27)28/h1-13H,14-16H2,(H,30,33)
InChIKeyPQJHRPYPSMQYEK-UHFFFAOYSA-N
MW536.96 g/mol
LogP4.71
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-4-[[3-[4-(trifluoromethylsulfonyl)phenyl]-2H-imidazol-1-yl]methyl]pyridine-2-carboxamide

N-[(4-chlorophenyl)methyl]-4-[[3-[4-(trifluoromethylsulfonyl)phenyl]-2H-imidazol-1-yl]methyl]pyridine-2-carboxamide (PubChem CID 141097371) has the molecular formula C24H20ClF3N4O3S and a molecular weight of 536.96 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-[[3-[4-(trifluoromethylsulfonyl)phenyl]-2H-imidazol-1-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-[[3-[4-(trifluoromethylsulfonyl)phenyl]-2H-imidazol-1-yl]methyl]pyridine-2-carboxamide
PubChem CID141097371
Molecular FormulaC24H20ClF3N4O3S
Molecular Weight536.96 g/mol
Exact Mass536.09
IUPAC NameN-[(4-chlorophenyl)methyl]-4-[[3-[4-(trifluoromethylsulfonyl)phenyl]-2H-imidazol-1-yl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cc(CN2C=CN(c3ccc(S(=O)(=O)C(F)(F)F)cc3)C2)ccn1
InChIInChI=1S/C24H20ClF3N4O3S/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)36(34,35)24(26,27)28/h1-13H,14-16H2,(H,30,33)
InChIKeyPQJHRPYPSMQYEK-UHFFFAOYSA-N
XLogP4.71
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.96
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-[[3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridine-2-carboxamide
CID 141097427
4-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 43216964
4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 43088257
N-[(4-chlorophenyl)methyl]-4-(ethylamino)pyridine-2-carboxamide
CID 62186393
N-[(4-chlorophenyl)methyl]-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109211807
N-[(4-chlorophenyl)methyl]-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203069
2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085399
4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 7802633
N-[(4-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide
CID 109201908
1-(4-chlorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110372973
2-N-[(4-chlorophenyl)methyl]-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
CID 109086759
4-N-benzyl-2-N-[(4-chlorophenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide
CID 109086171

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-[[3-[4-(trifluoromethylsulfonyl)phenyl]-2H-imidazol-1-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-[[3-[4-(trifluoromethylsulfonyl)phenyl]-2H-imidazol-1-yl]methyl]pyridine-2-carboxamide (CID 141097371) is N-[(4-chlorophenyl)methyl]-4-[[3-[4-(trifluoromethylsulfonyl)phenyl]-2H-imidazol-1-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-[[3-[4-(trifluoromethylsulfonyl)phenyl]-2H-imidazol-1-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-[[3-[4-(trifluoromethylsulfonyl)phenyl]-2H-imidazol-1-yl]methyl]pyridine-2-carboxamide is O=C(NCc1ccc(Cl)cc1)c1cc(CN2C=CN(c3ccc(S(=O)(=O)C(F)(F)F)cc3)C2)ccn1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-[[3-[4-(trifluoromethylsulfonyl)phenyl]-2H-imidazol-1-yl]methyl]pyridine-2-carboxamide?
The InChIKey is PQJHRPYPSMQYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF3N4O3S/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)36(34,35)24(26,27)28/h1-13H,14-16H2,(H,30,33).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-[[3-[4-(trifluoromethylsulfonyl)phenyl]-2H-imidazol-1-yl]methyl]pyridine-2-carboxamide?
N-[(4-chlorophenyl)methyl]-4-[[3-[4-(trifluoromethylsulfonyl)phenyl]-2H-imidazol-1-yl]methyl]pyridine-2-carboxamide has a molecular weight of 536.96 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-[[3-[4-(trifluoromethylsulfonyl)phenyl]-2H-imidazol-1-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 141097371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).