6-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide

C19H19FN4OS — CID 46897736

IUPAC6-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide
SMILESCc1n[nH]c(C)c1CCSc1ccc(C(=O)Nc2ccc(F)cc2)cn1
InChIInChI=1S/C19H19FN4OS/c1-12-17(13(2)24-23-12)9-10-26-18-8-3-14(11-21-18)19(25)22-16-6-4-15(20)5-7-16/h3-8,11H,9-10H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyUOPBDXXLYDCFTN-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.15
Rot. Bonds6

About 6-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide

6-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide (PubChem CID 46897736) has the molecular formula C19H19FN4OS and a molecular weight of 370.45 g/mol. Its IUPAC name is 6-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide
PubChem CID46897736
Molecular FormulaC19H19FN4OS
Molecular Weight370.45 g/mol
Exact Mass370.13
IUPAC Name6-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide
SMILESCc1n[nH]c(C)c1CCSc1ccc(C(=O)Nc2ccc(F)cc2)cn1
InChIInChI=1S/C19H19FN4OS/c1-12-17(13(2)24-23-12)9-10-26-18-8-3-14(11-21-18)19(25)22-16-6-4-15(20)5-7-16/h3-8,11H,9-10H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyUOPBDXXLYDCFTN-UHFFFAOYSA-N
XLogP4.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide (CID 46897736) is 6-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide is Cc1n[nH]c(C)c1CCSc1ccc(C(=O)Nc2ccc(F)cc2)cn1.
What is the InChIKey of 6-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is UOPBDXXLYDCFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4OS/c1-12-17(13(2)24-23-12)9-10-26-18-8-3-14(11-21-18)19(25)22-16-6-4-15(20)5-7-16/h3-8,11H,9-10H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 6-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide?
6-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 46897736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).