N-[3-[benzyl(methyl)amino]propyl]-2-methylsulfanylpyridine-3-carboxamide

C18H23N3OS — CID 41306594

IUPACN-[3-[benzyl(methyl)amino]propyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCCCN(C)Cc1ccccc1
InChIInChI=1S/C18H23N3OS/c1-21(14-15-8-4-3-5-9-15)13-7-12-19-17(22)16-10-6-11-20-18(16)23-2/h3-6,8-11H,7,12-14H2,1-2H3,(H,19,22)
InChIKeyUYZWKYURTJPFNC-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.06
Rot. Bonds8

About N-[3-[benzyl(methyl)amino]propyl]-2-methylsulfanylpyridine-3-carboxamide

N-[3-[benzyl(methyl)amino]propyl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 41306594) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID41306594
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCCCN(C)Cc1ccccc1
InChIInChI=1S/C18H23N3OS/c1-21(14-15-8-4-3-5-9-15)13-7-12-19-17(22)16-10-6-11-20-18(16)23-2/h3-6,8-11H,7,12-14H2,1-2H3,(H,19,22)
InChIKeyUYZWKYURTJPFNC-UHFFFAOYSA-N
XLogP3.06
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.06
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-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide
CID 55756710
N-[3-[benzyl(methyl)amino]propyl]-2-methylsulfanylbenzamide
CID 17474341
N-[3-[benzyl(methyl)amino]propyl]-2-fluorobenzamide
CID 110444087
N-(2-benzylsulfanylethyl)-2-methylsulfanylpyridine-3-carboxamide
CID 20969002
N-[3-[benzyl(methyl)amino]propyl]-2-methoxybenzamide
CID 18118649
methyl 6-[(2-methylsulfanylpyridine-3-carbonyl)amino]hexanoate
CID 31839789
N-ethyl-2-methylsulfanylpyridine-3-carboxamide
CID 18712295
N-(2-hydroxy-2-phenylethyl)-2-methylsulfanylpyridine-3-carboxamide
CID 43391291
2-methylsulfanyl-N-(2-methylsulfonylethyl)pyridine-3-carboxamide
CID 47230711
2-fluoro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide
CID 107358352
N-[3-[benzyl(methyl)amino]propyl]-1H-indazole-3-carboxamide
CID 41277760
4-N-[3-[benzyl(methyl)amino]propyl]benzene-1,4-dicarboxamide
CID 41306684

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-2-methylsulfanylpyridine-3-carboxamide (CID 41306594) is N-[3-[benzyl(methyl)amino]propyl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)NCCCN(C)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is UYZWKYURTJPFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-21(14-15-8-4-3-5-9-15)13-7-12-19-17(22)16-10-6-11-20-18(16)23-2/h3-6,8-11H,7,12-14H2,1-2H3,(H,19,22).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-2-methylsulfanylpyridine-3-carboxamide?
N-[3-[benzyl(methyl)amino]propyl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 329.47 g/mol, XLogP of 3.06, 8 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-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 41306594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).