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

C17H17N3O3S — CID 70691965

IUPACN-[2-(2-methoxyphenyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide
SMILESCOc1ccccc1C1SCCC(=O)N1NC(=O)c1ccncc1
InChIInChI=1S/C17H17N3O3S/c1-23-14-5-3-2-4-13(14)17-20(15(21)8-11-24-17)19-16(22)12-6-9-18-10-7-12/h2-7,9-10,17H,8,11H2,1H3,(H,19,22)
InChIKeyBQOMLZVTHYMJPX-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.40
Rot. Bonds4

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

N-[2-(2-methoxyphenyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide (PubChem CID 70691965) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide
PubChem CID70691965
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-[2-(2-methoxyphenyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide
SMILESCOc1ccccc1C1SCCC(=O)N1NC(=O)c1ccncc1
InChIInChI=1S/C17H17N3O3S/c1-23-14-5-3-2-4-13(14)17-20(15(21)8-11-24-17)19-16(22)12-6-9-18-10-7-12/h2-7,9-10,17H,8,11H2,1H3,(H,19,22)
InChIKeyBQOMLZVTHYMJPX-UHFFFAOYSA-N
XLogP2.40
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide (CID 70691965) is N-[2-(2-methoxyphenyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide is COc1ccccc1C1SCCC(=O)N1NC(=O)c1ccncc1.
What is the InChIKey of N-[2-(2-methoxyphenyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide?
The InChIKey is BQOMLZVTHYMJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-23-14-5-3-2-4-13(14)17-20(15(21)8-11-24-17)19-16(22)12-6-9-18-10-7-12/h2-7,9-10,17H,8,11H2,1H3,(H,19,22).
What are the key properties of N-[2-(2-methoxyphenyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide?
N-[2-(2-methoxyphenyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 70691965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).