N-[3-[benzyl(methyl)amino]propyl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide

C24H26FN3OS — CID 55756710

IUPACN-[3-[benzyl(methyl)amino]propyl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide
SMILESCN(CCCNC(=O)c1cccnc1SCc1ccc(F)cc1)Cc1ccccc1
InChIInChI=1S/C24H26FN3OS/c1-28(17-19-7-3-2-4-8-19)16-6-15-26-23(29)22-9-5-14-27-24(22)30-18-20-10-12-21(25)13-11-20/h2-5,7-14H,6,15-18H2,1H3,(H,26,29)
InChIKeyGVLRUHRRFLUUKN-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.76
Rot. Bonds10

About N-[3-[benzyl(methyl)amino]propyl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide

N-[3-[benzyl(methyl)amino]propyl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide (PubChem CID 55756710) has the molecular formula C24H26FN3OS and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide
PubChem CID55756710
Molecular FormulaC24H26FN3OS
Molecular Weight423.56 g/mol
Exact Mass423.18
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide
SMILESCN(CCCNC(=O)c1cccnc1SCc1ccc(F)cc1)Cc1ccccc1
InChIInChI=1S/C24H26FN3OS/c1-28(17-19-7-3-2-4-8-19)16-6-15-26-23(29)22-9-5-14-27-24(22)30-18-20-10-12-21(25)13-11-20/h2-5,7-14H,6,15-18H2,1H3,(H,26,29)
InChIKeyGVLRUHRRFLUUKN-UHFFFAOYSA-N
XLogP4.76
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[benzyl(methyl)amino]propyl]-2-methylsulfanylpyridine-3-carboxamide
CID 41306594
2-[(4-fluorophenyl)methylsulfanyl]-N-(2-methoxy-2-phenylethyl)pyridine-3-carboxamide
CID 60543648
N-[3-[benzyl(methyl)amino]propyl]-2-fluorobenzamide
CID 110444087
N-[3-[benzyl(methyl)amino]propyl]-2-methylsulfanylbenzamide
CID 17474341
2-[(4-fluorophenyl)methylsulfanyl]-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide
CID 55754249
2-[(4-fluorophenyl)methylsulfanyl]-N,N-bis(2-methoxyethyl)pyridine-3-carboxamide
CID 55787196
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide
CID 55756679
N-[4-[(dimethylamino)methyl]-2-pyridinyl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide
CID 75468300
N-[3-(4-bromoanilino)-3-oxopropyl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide
CID 55979342
N-[3-[benzyl(methyl)amino]propyl]-2-methoxybenzamide
CID 18118649
2-[(3-bromophenyl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 16719157
2-[(4-fluorophenyl)methylsulfanyl]-N-(5-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 60543467

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide (CID 55756710) is N-[3-[benzyl(methyl)amino]propyl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide is CN(CCCNC(=O)c1cccnc1SCc1ccc(F)cc1)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide?
The InChIKey is GVLRUHRRFLUUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3OS/c1-28(17-19-7-3-2-4-8-19)16-6-15-26-23(29)22-9-5-14-27-24(22)30-18-20-10-12-21(25)13-11-20/h2-5,7-14H,6,15-18H2,1H3,(H,26,29).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide?
N-[3-[benzyl(methyl)amino]propyl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 4.76, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide is sourced from PubChem (CID 55756710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).