N-methyl-6-(4-methylthiophen-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide

C16H19N3O2S — CID 126469332

IUPACN-methyl-6-(4-methylthiophen-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(-c2cc(C)cs2)nc1N1CCOCC1
InChIInChI=1S/C16H19N3O2S/c1-11-9-14(22-10-11)13-4-3-12(16(20)17-2)15(18-13)19-5-7-21-8-6-19/h3-4,9-10H,5-8H2,1-2H3,(H,17,20)
InChIKeySJZPXGUVBPPZBS-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.31
Rot. Bonds3

About N-methyl-6-(4-methylthiophen-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide

N-methyl-6-(4-methylthiophen-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 126469332) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-methyl-6-(4-methylthiophen-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-(4-methylthiophen-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide
PubChem CID126469332
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-methyl-6-(4-methylthiophen-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(-c2cc(C)cs2)nc1N1CCOCC1
InChIInChI=1S/C16H19N3O2S/c1-11-9-14(22-10-11)13-4-3-12(16(20)17-2)15(18-13)19-5-7-21-8-6-19/h3-4,9-10H,5-8H2,1-2H3,(H,17,20)
InChIKeySJZPXGUVBPPZBS-UHFFFAOYSA-N
XLogP2.31
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(4-methylthiophen-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-methyl-6-(4-methylthiophen-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide (CID 126469332) is N-methyl-6-(4-methylthiophen-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-methyl-6-(4-methylthiophen-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-methyl-6-(4-methylthiophen-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide is CNC(=O)c1ccc(-c2cc(C)cs2)nc1N1CCOCC1.
What is the InChIKey of N-methyl-6-(4-methylthiophen-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is SJZPXGUVBPPZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-11-9-14(22-10-11)13-4-3-12(16(20)17-2)15(18-13)19-5-7-21-8-6-19/h3-4,9-10H,5-8H2,1-2H3,(H,17,20).
What are the key properties of N-methyl-6-(4-methylthiophen-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide?
N-methyl-6-(4-methylthiophen-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(4-methylthiophen-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 126469332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).