2-(pyridin-4-ylmethylsulfanyl)-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide

C19H14F3N3O3S2 — CID 23093814

IUPAC2-(pyridin-4-ylmethylsulfanyl)-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1cccnc1SCc1ccncc1
InChIInChI=1S/C19H14F3N3O3S2/c20-19(21,22)30(27,28)15-5-3-14(4-6-15)25-17(26)16-2-1-9-24-18(16)29-12-13-7-10-23-11-8-13/h1-11H,12H2,(H,25,26)
InChIKeyYVSHQVMWGNSKLC-UHFFFAOYSA-N
MW453.47 g/mol
LogP4.31
Rot. Bonds6

About 2-(pyridin-4-ylmethylsulfanyl)-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide

2-(pyridin-4-ylmethylsulfanyl)-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide (PubChem CID 23093814) has the molecular formula C19H14F3N3O3S2 and a molecular weight of 453.47 g/mol. Its IUPAC name is 2-(pyridin-4-ylmethylsulfanyl)-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(pyridin-4-ylmethylsulfanyl)-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide
PubChem CID23093814
Molecular FormulaC19H14F3N3O3S2
Molecular Weight453.47 g/mol
Exact Mass453.04
IUPAC Name2-(pyridin-4-ylmethylsulfanyl)-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1cccnc1SCc1ccncc1
InChIInChI=1S/C19H14F3N3O3S2/c20-19(21,22)30(27,28)15-5-3-14(4-6-15)25-17(26)16-2-1-9-24-18(16)29-12-13-7-10-23-11-8-13/h1-11H,12H2,(H,25,26)
InChIKeyYVSHQVMWGNSKLC-UHFFFAOYSA-N
XLogP4.31
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.47
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(pyridin-4-ylmethylsulfanyl)-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-(dimethylamino)-2-pyridinyl]methylsulfanyl]-N-pyridin-4-ylpyridine-3-carboxamide
CID 139694481
2-benzylsulfanyl-N-(4-nitrophenyl)pyridine-3-carboxamide
CID 10406534
N-(3-propan-2-yloxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 23093989
N-(3-phenoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 23093756
2-[(4-fluorophenyl)methylsulfanyl]-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-3-carboxamide
CID 55760593
2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 23151100
2-(pyridin-4-ylmethylsulfanyl)-N-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyridine-3-carboxamide
CID 162560419
2-[(2-bromo-4-pyridinyl)methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 10458018
2-[(4-fluorophenyl)methylsulfanyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]pyridine-3-carboxamide
CID 55760209
2-[[2-[(2-hydroxyacetyl)amino]-4-pyridinyl]methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 11775583
N-(4-tert-butylphenyl)-2-[(2-cyano-4-pyridinyl)methylsulfanyl]pyridine-3-carboxamide
CID 23093836
2-[[2-[[2-[2-(dimethylamino)ethylamino]acetyl]amino]-4-pyridinyl]methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 11466748

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-4-ylmethylsulfanyl)-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-(pyridin-4-ylmethylsulfanyl)-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide (CID 23093814) is 2-(pyridin-4-ylmethylsulfanyl)-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(pyridin-4-ylmethylsulfanyl)-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(pyridin-4-ylmethylsulfanyl)-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1cccnc1SCc1ccncc1.
What is the InChIKey of 2-(pyridin-4-ylmethylsulfanyl)-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide?
The InChIKey is YVSHQVMWGNSKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O3S2/c20-19(21,22)30(27,28)15-5-3-14(4-6-15)25-17(26)16-2-1-9-24-18(16)29-12-13-7-10-23-11-8-13/h1-11H,12H2,(H,25,26).
What are the key properties of 2-(pyridin-4-ylmethylsulfanyl)-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide?
2-(pyridin-4-ylmethylsulfanyl)-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide has a molecular weight of 453.47 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-4-ylmethylsulfanyl)-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 23093814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).