N-[2-(4-hydroxyphenyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide

C16H15N3O3S — CID 70691966

IUPACN-[2-(4-hydroxyphenyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide
SMILESO=C(NN1C(=O)CCSC1c1ccc(O)cc1)c1ccncc1
InChIInChI=1S/C16H15N3O3S/c20-13-3-1-12(2-4-13)16-19(14(21)7-10-23-16)18-15(22)11-5-8-17-9-6-11/h1-6,8-9,16,20H,7,10H2,(H,18,22)
InChIKeyAIUPJWZQSJTDQE-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.10
Rot. Bonds3

About N-[2-(4-hydroxyphenyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide

N-[2-(4-hydroxyphenyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide (PubChem CID 70691966) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide
PubChem CID70691966
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-[2-(4-hydroxyphenyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide
SMILESO=C(NN1C(=O)CCSC1c1ccc(O)cc1)c1ccncc1
InChIInChI=1S/C16H15N3O3S/c20-13-3-1-12(2-4-13)16-19(14(21)7-10-23-16)18-15(22)11-5-8-17-9-6-11/h1-6,8-9,16,20H,7,10H2,(H,18,22)
InChIKeyAIUPJWZQSJTDQE-UHFFFAOYSA-N
XLogP2.10
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide (CID 70691966) is N-[2-(4-hydroxyphenyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide is O=C(NN1C(=O)CCSC1c1ccc(O)cc1)c1ccncc1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide?
The InChIKey is AIUPJWZQSJTDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c20-13-3-1-12(2-4-13)16-19(14(21)7-10-23-16)18-15(22)11-5-8-17-9-6-11/h1-6,8-9,16,20H,7,10H2,(H,18,22).
What are the key properties of N-[2-(4-hydroxyphenyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide?
N-[2-(4-hydroxyphenyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 70691966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).