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

C15H15N3O3S — CID 70685662

IUPACN-[2-(furan-2-ylmethyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide
SMILESO=C(NN1C(=O)CCSC1Cc1ccco1)c1ccncc1
InChIInChI=1S/C15H15N3O3S/c19-13-5-9-22-14(10-12-2-1-8-21-12)18(13)17-15(20)11-3-6-16-7-4-11/h1-4,6-8,14H,5,9-10H2,(H,17,20)
InChIKeyFQQLQJADVJOLNM-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.85
Rot. Bonds4

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

N-[2-(furan-2-ylmethyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide (PubChem CID 70685662) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide
PubChem CID70685662
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-[2-(furan-2-ylmethyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide
SMILESO=C(NN1C(=O)CCSC1Cc1ccco1)c1ccncc1
InChIInChI=1S/C15H15N3O3S/c19-13-5-9-22-14(10-12-2-1-8-21-12)18(13)17-15(20)11-3-6-16-7-4-11/h1-4,6-8,14H,5,9-10H2,(H,17,20)
InChIKeyFQQLQJADVJOLNM-UHFFFAOYSA-N
XLogP1.85
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(furan-2-ylmethyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide (CID 70685662) is N-[2-(furan-2-ylmethyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(furan-2-ylmethyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(furan-2-ylmethyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide is O=C(NN1C(=O)CCSC1Cc1ccco1)c1ccncc1.
What is the InChIKey of N-[2-(furan-2-ylmethyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide?
The InChIKey is FQQLQJADVJOLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c19-13-5-9-22-14(10-12-2-1-8-21-12)18(13)17-15(20)11-3-6-16-7-4-11/h1-4,6-8,14H,5,9-10H2,(H,17,20).
What are the key properties of N-[2-(furan-2-ylmethyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide?
N-[2-(furan-2-ylmethyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 70685662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).