5-fluoro-2-[formyl-(4-methyl-2-propylsulfanyl-3-pyridinyl)amino]-N,6-dimethylpyridine-3-carboxamide

C18H21FN4O2S — CID 170125715

IUPAC5-fluoro-2-[formyl-(4-methyl-2-propylsulfanyl-3-pyridinyl)amino]-N,6-dimethylpyridine-3-carboxamide
SMILESCCCSc1nccc(C)c1N(C=O)c1nc(C)c(F)cc1C(=O)NC
InChIInChI=1S/C18H21FN4O2S/c1-5-8-26-18-15(11(2)6-7-21-18)23(10-24)16-13(17(25)20-4)9-14(19)12(3)22-16/h6-7,9-10H,5,8H2,1-4H3,(H,20,25)
InChIKeyWDNYWFHQYDIPIV-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.39
Rot. Bonds7

About 5-fluoro-2-[formyl-(4-methyl-2-propylsulfanyl-3-pyridinyl)amino]-N,6-dimethylpyridine-3-carboxamide

5-fluoro-2-[formyl-(4-methyl-2-propylsulfanyl-3-pyridinyl)amino]-N,6-dimethylpyridine-3-carboxamide (PubChem CID 170125715) has the molecular formula C18H21FN4O2S and a molecular weight of 376.46 g/mol. Its IUPAC name is 5-fluoro-2-[formyl-(4-methyl-2-propylsulfanyl-3-pyridinyl)amino]-N,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-2-[formyl-(4-methyl-2-propylsulfanyl-3-pyridinyl)amino]-N,6-dimethylpyridine-3-carboxamide
PubChem CID170125715
Molecular FormulaC18H21FN4O2S
Molecular Weight376.46 g/mol
Exact Mass376.14
IUPAC Name5-fluoro-2-[formyl-(4-methyl-2-propylsulfanyl-3-pyridinyl)amino]-N,6-dimethylpyridine-3-carboxamide
SMILESCCCSc1nccc(C)c1N(C=O)c1nc(C)c(F)cc1C(=O)NC
InChIInChI=1S/C18H21FN4O2S/c1-5-8-26-18-15(11(2)6-7-21-18)23(10-24)16-13(17(25)20-4)9-14(19)12(3)22-16/h6-7,9-10H,5,8H2,1-4H3,(H,20,25)
InChIKeyWDNYWFHQYDIPIV-UHFFFAOYSA-N
XLogP3.39
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[formyl-(4-methyl-2-propylsulfanyl-3-pyridinyl)amino]-N,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 5-fluoro-2-[formyl-(4-methyl-2-propylsulfanyl-3-pyridinyl)amino]-N,6-dimethylpyridine-3-carboxamide (CID 170125715) is 5-fluoro-2-[formyl-(4-methyl-2-propylsulfanyl-3-pyridinyl)amino]-N,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-2-[formyl-(4-methyl-2-propylsulfanyl-3-pyridinyl)amino]-N,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-2-[formyl-(4-methyl-2-propylsulfanyl-3-pyridinyl)amino]-N,6-dimethylpyridine-3-carboxamide is CCCSc1nccc(C)c1N(C=O)c1nc(C)c(F)cc1C(=O)NC.
What is the InChIKey of 5-fluoro-2-[formyl-(4-methyl-2-propylsulfanyl-3-pyridinyl)amino]-N,6-dimethylpyridine-3-carboxamide?
The InChIKey is WDNYWFHQYDIPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2S/c1-5-8-26-18-15(11(2)6-7-21-18)23(10-24)16-13(17(25)20-4)9-14(19)12(3)22-16/h6-7,9-10H,5,8H2,1-4H3,(H,20,25).
What are the key properties of 5-fluoro-2-[formyl-(4-methyl-2-propylsulfanyl-3-pyridinyl)amino]-N,6-dimethylpyridine-3-carboxamide?
5-fluoro-2-[formyl-(4-methyl-2-propylsulfanyl-3-pyridinyl)amino]-N,6-dimethylpyridine-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[formyl-(4-methyl-2-propylsulfanyl-3-pyridinyl)amino]-N,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 170125715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).