N-(1,4-dioxan-2-ylmethyl)-6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide

C18H23N3O4S — CID 45200246

IUPACN-(1,4-dioxan-2-ylmethyl)-6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCN(Cc1ccsc1)Cc1ccc(C(=O)NCC2COCCO2)c(=O)[nH]1
InChIInChI=1S/C18H23N3O4S/c1-21(9-13-4-7-26-12-13)10-14-2-3-16(18(23)20-14)17(22)19-8-15-11-24-5-6-25-15/h2-4,7,12,15H,5-6,8-11H2,1H3,(H,19,22)(H,20,23)
InChIKeyXGEFFXWZDBSCCL-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.21
Rot. Bonds7

About N-(1,4-dioxan-2-ylmethyl)-6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide

N-(1,4-dioxan-2-ylmethyl)-6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 45200246) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID45200246
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCN(Cc1ccsc1)Cc1ccc(C(=O)NCC2COCCO2)c(=O)[nH]1
InChIInChI=1S/C18H23N3O4S/c1-21(9-13-4-7-26-12-13)10-14-2-3-16(18(23)20-14)17(22)19-8-15-11-24-5-6-25-15/h2-4,7,12,15H,5-6,8-11H2,1H3,(H,19,22)(H,20,23)
InChIKeyXGEFFXWZDBSCCL-UHFFFAOYSA-N
XLogP1.21
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 45200246) is N-(1,4-dioxan-2-ylmethyl)-6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide is CN(Cc1ccsc1)Cc1ccc(C(=O)NCC2COCCO2)c(=O)[nH]1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is XGEFFXWZDBSCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-21(9-13-4-7-26-12-13)10-14-2-3-16(18(23)20-14)17(22)19-8-15-11-24-5-6-25-15/h2-4,7,12,15H,5-6,8-11H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide?
N-(1,4-dioxan-2-ylmethyl)-6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 45200246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).