2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C19H15F3N4OS — CID 23151100

IUPAC2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESNc1cc(CSc2ncccc2C(=O)Nc2cccc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C19H15F3N4OS/c20-19(21,22)13-3-1-4-14(10-13)26-17(27)15-5-2-7-25-18(15)28-11-12-6-8-24-16(23)9-12/h1-10H,11H2,(H2,23,24)(H,26,27)
InChIKeyVXQLDHGEMMEOOI-UHFFFAOYSA-N
MW404.42 g/mol
LogP4.62
Rot. Bonds5

About 2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 23151100) has the molecular formula C19H15F3N4OS and a molecular weight of 404.42 g/mol. Its IUPAC name is 2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID23151100
Molecular FormulaC19H15F3N4OS
Molecular Weight404.42 g/mol
Exact Mass404.09
IUPAC Name2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESNc1cc(CSc2ncccc2C(=O)Nc2cccc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C19H15F3N4OS/c20-19(21,22)13-3-1-4-14(10-13)26-17(27)15-5-2-7-25-18(15)28-11-12-6-8-24-16(23)9-12/h1-10H,11H2,(H2,23,24)(H,26,27)
InChIKeyVXQLDHGEMMEOOI-UHFFFAOYSA-N
XLogP4.62
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[(2-hydroxyacetyl)amino]-4-pyridinyl]methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 11775583
tert-butyl N-[4-[[3-[[[3-(trifluoromethyl)phenyl]carbamoylamino]carbamoyl]-2-pyridinyl]sulfanylmethyl]-2-pyridinyl]carbamate
CID 59152580
2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 2424164
N-(3-propan-2-yloxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 23093989
2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide
CID 68841427
2-(pyridin-4-ylmethylsulfanyl)-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide
CID 23093814
2-[[2-[[2-[2-(dimethylamino)ethylamino]acetyl]amino]-4-pyridinyl]methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 11466748
2-[(2-bromo-4-pyridinyl)methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 10458018
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-[(2-aminoacetyl)amino]-4-pyridinyl]methylsulfanyl]-N-(4-chlorophenyl)pyridine-3-carboxamide
CID 23151116
N-(3-ethylphenyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide
CID 18288969

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 23151100) is 2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is Nc1cc(CSc2ncccc2C(=O)Nc2cccc(C(F)(F)F)c2)ccn1.
What is the InChIKey of 2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is VXQLDHGEMMEOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4OS/c20-19(21,22)13-3-1-4-14(10-13)26-17(27)15-5-2-7-25-18(15)28-11-12-6-8-24-16(23)9-12/h1-10H,11H2,(H2,23,24)(H,26,27).
What are the key properties of 2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 404.42 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 23151100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).