6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-N-prop-2-enylpyridine-3-carboxamide

C17H25N3O2S — CID 133479539

IUPAC6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(N2CCS(=O)C(CC)(CC)C2)nc1
InChIInChI=1S/C17H25N3O2S/c1-4-9-18-16(21)14-7-8-15(19-12-14)20-10-11-23(22)17(5-2,6-3)13-20/h4,7-8,12H,1,5-6,9-11,13H2,2-3H3,(H,18,21)
InChIKeyFZLRMGFLOAWSEN-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.12
Rot. Bonds6

About 6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-N-prop-2-enylpyridine-3-carboxamide

6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 133479539) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-N-prop-2-enylpyridine-3-carboxamide
PubChem CID133479539
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(N2CCS(=O)C(CC)(CC)C2)nc1
InChIInChI=1S/C17H25N3O2S/c1-4-9-18-16(21)14-7-8-15(19-12-14)20-10-11-23(22)17(5-2,6-3)13-20/h4,7-8,12H,1,5-6,9-11,13H2,2-3H3,(H,18,21)
InChIKeyFZLRMGFLOAWSEN-UHFFFAOYSA-N
XLogP2.12
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-N-prop-2-ynylpyridine-3-carboxamide
CID 133479468
6-(3-hydroxy-4-methylpiperidin-1-yl)-N-prop-2-enylpyridine-3-carboxamide
CID 133446605
1-[5-(prop-2-enylcarbamoyl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 120964835
6-[4-(4-carbamoylphenyl)piperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide
CID 133307551
6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide
CID 133336874
6-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-prop-2-enylpyridine-3-carboxamide
CID 133314215
6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide
CID 133465543
6-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-prop-2-enylpyridine-3-carboxamide
CID 133327677
2-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide
CID 4069560
N-[2-(ethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119505612
1-prop-2-enyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 36507156
6-(pentylamino)-N-prop-2-enylpyridine-3-carboxamide
CID 109151510

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-N-prop-2-enylpyridine-3-carboxamide (CID 133479539) is 6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1ccc(N2CCS(=O)C(CC)(CC)C2)nc1.
What is the InChIKey of 6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is FZLRMGFLOAWSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-4-9-18-16(21)14-7-8-15(19-12-14)20-10-11-23(22)17(5-2,6-3)13-20/h4,7-8,12H,1,5-6,9-11,13H2,2-3H3,(H,18,21).
What are the key properties of 6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-N-prop-2-enylpyridine-3-carboxamide?
6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 133479539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).