6-[(2,6-dimethylphenyl)sulfanylmethyl]-N,N-diethylpyridine-2-carboxamide

C19H24N2OS — CID 58210986

IUPAC6-[(2,6-dimethylphenyl)sulfanylmethyl]-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cccc(CSc2c(C)cccc2C)n1
InChIInChI=1S/C19H24N2OS/c1-5-21(6-2)19(22)17-12-8-11-16(20-17)13-23-18-14(3)9-7-10-15(18)4/h7-12H,5-6,13H2,1-4H3
InChIKeyUPCGSHIKEUGHFS-UHFFFAOYSA-N
MW328.48 g/mol
LogP4.47
Rot. Bonds6

About 6-[(2,6-dimethylphenyl)sulfanylmethyl]-N,N-diethylpyridine-2-carboxamide

6-[(2,6-dimethylphenyl)sulfanylmethyl]-N,N-diethylpyridine-2-carboxamide (PubChem CID 58210986) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 6-[(2,6-dimethylphenyl)sulfanylmethyl]-N,N-diethylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(2,6-dimethylphenyl)sulfanylmethyl]-N,N-diethylpyridine-2-carboxamide
PubChem CID58210986
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name6-[(2,6-dimethylphenyl)sulfanylmethyl]-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cccc(CSc2c(C)cccc2C)n1
InChIInChI=1S/C19H24N2OS/c1-5-21(6-2)19(22)17-12-8-11-16(20-17)13-23-18-14(3)9-7-10-15(18)4/h7-12H,5-6,13H2,1-4H3
InChIKeyUPCGSHIKEUGHFS-UHFFFAOYSA-N
XLogP4.47
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211273
[6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 58211130
6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide
CID 11988639
methyl 6-[(2-amino-3-methylphenyl)sulfanylmethyl]pyridine-2-carboxylate
CID 106903901
6-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909697
6-N,6-N-diethyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,6-dicarboxamide
CID 109098988
6-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 103890041
2-N-butyl-6-N,6-N-diethyl-2-N-methylpyridine-2,6-dicarboxamide
CID 109098960
N,N-diethyl-2-fluoro-3-methylbenzamide
CID 80718588
6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carboxylic acid
CID 106903513
1-[6-[(2-hydroxyphenyl)sulfanylmethyl]-2-pyridinyl]ethanone;4-methylheptane
CID 143311232
2-N-(3-chloro-2-methylphenyl)-6-N,6-N-diethylpyridine-2,6-dicarboxamide
CID 109098998

Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-dimethylphenyl)sulfanylmethyl]-N,N-diethylpyridine-2-carboxamide?
The IUPAC name of 6-[(2,6-dimethylphenyl)sulfanylmethyl]-N,N-diethylpyridine-2-carboxamide (CID 58210986) is 6-[(2,6-dimethylphenyl)sulfanylmethyl]-N,N-diethylpyridine-2-carboxamide.
What is the SMILES notation for 6-[(2,6-dimethylphenyl)sulfanylmethyl]-N,N-diethylpyridine-2-carboxamide?
The canonical SMILES for 6-[(2,6-dimethylphenyl)sulfanylmethyl]-N,N-diethylpyridine-2-carboxamide is CCN(CC)C(=O)c1cccc(CSc2c(C)cccc2C)n1.
What is the InChIKey of 6-[(2,6-dimethylphenyl)sulfanylmethyl]-N,N-diethylpyridine-2-carboxamide?
The InChIKey is UPCGSHIKEUGHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-5-21(6-2)19(22)17-12-8-11-16(20-17)13-23-18-14(3)9-7-10-15(18)4/h7-12H,5-6,13H2,1-4H3.
What are the key properties of 6-[(2,6-dimethylphenyl)sulfanylmethyl]-N,N-diethylpyridine-2-carboxamide?
6-[(2,6-dimethylphenyl)sulfanylmethyl]-N,N-diethylpyridine-2-carboxamide has a molecular weight of 328.48 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-dimethylphenyl)sulfanylmethyl]-N,N-diethylpyridine-2-carboxamide is sourced from PubChem (CID 58210986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).