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

C17H23N3O2S — CID 133479468

IUPAC6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-N-prop-2-ynylpyridine-3-carboxamide
SMILESC#CCNC(=O)c1ccc(N2CCS(=O)C(CC)(CC)C2)nc1
InChIInChI=1S/C17H23N3O2S/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/h1,7-8,12H,5-6,9-11,13H2,2-3H3,(H,18,21)
InChIKeyHZQHAADCVJZVDS-UHFFFAOYSA-N
MW333.46 g/mol
LogP1.57
Rot. Bonds5

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

6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-N-prop-2-ynylpyridine-3-carboxamide (PubChem CID 133479468) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-N-prop-2-ynylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-N-prop-2-ynylpyridine-3-carboxamide
PubChem CID133479468
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-N-prop-2-ynylpyridine-3-carboxamide
SMILESC#CCNC(=O)c1ccc(N2CCS(=O)C(CC)(CC)C2)nc1
InChIInChI=1S/C17H23N3O2S/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/h1,7-8,12H,5-6,9-11,13H2,2-3H3,(H,18,21)
InChIKeyHZQHAADCVJZVDS-UHFFFAOYSA-N
XLogP1.57
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-N-prop-2-enylpyridine-3-carboxamide
CID 133479539
6-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-N-prop-2-ynylpyridine-3-carboxamide
CID 133499229
(3aS,6aR)-2-[5-(prop-2-ynylcarbamoyl)-2-pyridinyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122063342
6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-prop-2-ynylpyridine-3-carboxamide
CID 133315488
N-[2-(ethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119505612
6-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-prop-2-ynylpyridine-3-carboxamide
CID 133448609
6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-prop-2-ynylpyridine-3-carboxamide
CID 133487281
N-prop-2-ynyl-6-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pyridine-3-carboxamide
CID 71931528
6-(cyclopent-3-en-1-ylamino)-N-prop-2-ynylpyridine-3-carboxamide
CID 133362088
2-[6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137266312
N-[(2R)-2-(ethylamino)propyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 120652401
N-(2-hydroxy-2-propylpentyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 111444833

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-N-prop-2-ynylpyridine-3-carboxamide?
The IUPAC name of 6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-N-prop-2-ynylpyridine-3-carboxamide (CID 133479468) is 6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-N-prop-2-ynylpyridine-3-carboxamide.
What is the SMILES notation for 6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-N-prop-2-ynylpyridine-3-carboxamide?
The canonical SMILES for 6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-N-prop-2-ynylpyridine-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-ynylpyridine-3-carboxamide?
The InChIKey is HZQHAADCVJZVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/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/h1,7-8,12H,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-ynylpyridine-3-carboxamide?
6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-N-prop-2-ynylpyridine-3-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 1.57, 5 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-ynylpyridine-3-carboxamide is sourced from PubChem (CID 133479468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).