3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]pyridine-4-carboxamide

C14H11ClF3N3OS — CID 150906079

IUPAC3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]pyridine-4-carboxamide
SMILESNC(=O)c1ccncc1CCSc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H11ClF3N3OS/c15-11-5-9(14(16,17)18)7-21-13(11)23-4-2-8-6-20-3-1-10(8)12(19)22/h1,3,5-7H,2,4H2,(H2,19,22)
InChIKeyLAZULLZIEHFSDR-UHFFFAOYSA-N
MW361.78 g/mol
LogP3.58
Rot. Bonds5

About 3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]pyridine-4-carboxamide

3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]pyridine-4-carboxamide (PubChem CID 150906079) has the molecular formula C14H11ClF3N3OS and a molecular weight of 361.78 g/mol. Its IUPAC name is 3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]pyridine-4-carboxamide
PubChem CID150906079
Molecular FormulaC14H11ClF3N3OS
Molecular Weight361.78 g/mol
Exact Mass361.03
IUPAC Name3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]pyridine-4-carboxamide
SMILESNC(=O)c1ccncc1CCSc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H11ClF3N3OS/c15-11-5-9(14(16,17)18)7-21-13(11)23-4-2-8-6-20-3-1-10(8)12(19)22/h1,3,5-7H,2,4H2,(H2,19,22)
InChIKeyLAZULLZIEHFSDR-UHFFFAOYSA-N
XLogP3.58
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.78
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine;hydrochloride
CID 43810441
3-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide
CID 126505805
N-[4-[N'-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]carbamimidoyl]-2-pyridinyl]acetamide
CID 155416866
N-[4-[N'-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]carbamimidoyl]-2-pyridinyl]-2-methylpropanamide
CID 155416902
3-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyridine
CID 112776146
3-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine
CID 2744942
2,5-dichloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]thiophene-3-carboxamide
CID 24516606
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanimidamide;hydrochloride
CID 138111368
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-methylpropan-2-ol
CID 86777244
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone
CID 2100490
3-chloro-2-[(2,6-dichlorophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine
CID 2744944
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]isoindole-1,3-dione
CID 8852189

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]pyridine-4-carboxamide?
The IUPAC name of 3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]pyridine-4-carboxamide (CID 150906079) is 3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]pyridine-4-carboxamide is NC(=O)c1ccncc1CCSc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]pyridine-4-carboxamide?
The InChIKey is LAZULLZIEHFSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N3OS/c15-11-5-9(14(16,17)18)7-21-13(11)23-4-2-8-6-20-3-1-10(8)12(19)22/h1,3,5-7H,2,4H2,(H2,19,22).
What are the key properties of 3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]pyridine-4-carboxamide?
3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]pyridine-4-carboxamide has a molecular weight of 361.78 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 150906079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).