N-(3-phenoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide

C24H19N3O2S — CID 23093756

IUPACN-(3-phenoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Oc2ccccc2)c1)c1cccnc1SCc1ccncc1
InChIInChI=1S/C24H19N3O2S/c28-23(22-10-5-13-26-24(22)30-17-18-11-14-25-15-12-18)27-19-6-4-9-21(16-19)29-20-7-2-1-3-8-20/h1-16H,17H2,(H,27,28)
InChIKeyLOPSOIHQABEHJC-UHFFFAOYSA-N
MW413.50 g/mol
LogP5.81
Rot. Bonds7

About N-(3-phenoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide

N-(3-phenoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide (PubChem CID 23093756) has the molecular formula C24H19N3O2S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-(3-phenoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-phenoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
PubChem CID23093756
Molecular FormulaC24H19N3O2S
Molecular Weight413.50 g/mol
Exact Mass413.12
IUPAC NameN-(3-phenoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Oc2ccccc2)c1)c1cccnc1SCc1ccncc1
InChIInChI=1S/C24H19N3O2S/c28-23(22-10-5-13-26-24(22)30-17-18-11-14-25-15-12-18)27-19-6-4-9-21(16-19)29-20-7-2-1-3-8-20/h1-16H,17H2,(H,27,28)
InChIKeyLOPSOIHQABEHJC-UHFFFAOYSA-N
XLogP5.81
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.50
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-propan-2-yloxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 23093989
N-(3-phenoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 20773471
2-[(4-fluorophenyl)methylsulfanyl]-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-3-carboxamide
CID 55760593
2-(pyridin-4-ylmethylsulfanyl)-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide
CID 23093814
2-methylsulfanyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 2111300
2-benzylsulfanyl-N-(4-nitrophenyl)pyridine-3-carboxamide
CID 10406534
2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 23151100
2-[(4-fluorophenyl)methylsulfanyl]-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide
CID 55990597
N-(4-phenoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride
CID 22249212
2-benzylsulfanyl-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 10339739
N-(3-methylphenyl)-2-phenoxypyridine-3-carboxamide
CID 24513585
N-(4-phenoxyphenyl)-4-(pyridin-4-ylmethylsulfanyl)-1H-indole-3-carboxamide
CID 42597721

Frequently Asked Questions

What is the IUPAC name of N-(3-phenoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-phenoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide (CID 23093756) is N-(3-phenoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-phenoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-phenoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide is O=C(Nc1cccc(Oc2ccccc2)c1)c1cccnc1SCc1ccncc1.
What is the InChIKey of N-(3-phenoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide?
The InChIKey is LOPSOIHQABEHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2S/c28-23(22-10-5-13-26-24(22)30-17-18-11-14-25-15-12-18)27-19-6-4-9-21(16-19)29-20-7-2-1-3-8-20/h1-16H,17H2,(H,27,28).
What are the key properties of N-(3-phenoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide?
N-(3-phenoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 5.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide is sourced from PubChem (CID 23093756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).