N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide

C18H15FN2O2S — CID 24672801

IUPACN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C18H15FN2O2S/c1-24-18-15(3-2-10-20-18)17(22)21-11-14-8-9-16(23-14)12-4-6-13(19)7-5-12/h2-10H,11H2,1H3,(H,21,22)
InChIKeyRCNABPVMYDHONJ-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.13
Rot. Bonds5

About N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide

N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 24672801) has the molecular formula C18H15FN2O2S and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID24672801
Molecular FormulaC18H15FN2O2S
Molecular Weight342.40 g/mol
Exact Mass342.08
IUPAC NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C18H15FN2O2S/c1-24-18-15(3-2-10-20-18)17(22)21-11-14-8-9-16(23-14)12-4-6-13(19)7-5-12/h2-10H,11H2,1H3,(H,21,22)
InChIKeyRCNABPVMYDHONJ-UHFFFAOYSA-N
XLogP4.13
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-methylsulfanylpyridine-3-carboxamide
CID 18712295
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-fluorobenzamide
CID 9204118
N-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide
CID 83032320
2-methylsulfanyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide
CID 91764642
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-fluorobenzamide
CID 54858020
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 24677331
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dimethoxybenzamide
CID 24672781
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 77085716
2-(2-bromo-4,5-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide
CID 24672867
N-(2-methylprop-2-enyl)-2-methylsulfanylpyridine-3-carboxamide
CID 114618909
N-[[5-(furan-3-yl)furan-2-yl]methyl]-2-methylsulfanylbenzamide
CID 126852637
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]cyclopropanecarboxamide
CID 36895021

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide (CID 24672801) is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)NCc1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is RCNABPVMYDHONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2S/c1-24-18-15(3-2-10-20-18)17(22)21-11-14-8-9-16(23-14)12-4-6-13(19)7-5-12/h2-10H,11H2,1H3,(H,21,22).
What are the key properties of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide?
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 24672801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).