N-(1-benzothiophen-2-ylmethyl)-6-morpholin-4-ylpyridin-1-ium-3-carboxamide

C19H20N3O2S+ — CID 6976162

IUPACN-(1-benzothiophen-2-ylmethyl)-6-morpholin-4-ylpyridin-1-ium-3-carboxamide
SMILESO=C(NCc1cc2ccccc2s1)c1ccc(N2CCOCC2)[nH+]c1
InChIInChI=1S/C19H19N3O2S/c23-19(21-13-16-11-14-3-1-2-4-17(14)25-16)15-5-6-18(20-12-15)22-7-9-24-10-8-22/h1-6,11-12H,7-10,13H2,(H,21,23)/p+1
InChIKeyJJJXXRUMARPFJE-UHFFFAOYSA-O
MW354.46 g/mol
LogP2.48
Rot. Bonds4

About N-(1-benzothiophen-2-ylmethyl)-6-morpholin-4-ylpyridin-1-ium-3-carboxamide

N-(1-benzothiophen-2-ylmethyl)-6-morpholin-4-ylpyridin-1-ium-3-carboxamide (PubChem CID 6976162) has the molecular formula C19H20N3O2S+ and a molecular weight of 354.46 g/mol. Its IUPAC name is N-(1-benzothiophen-2-ylmethyl)-6-morpholin-4-ylpyridin-1-ium-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzothiophen-2-ylmethyl)-6-morpholin-4-ylpyridin-1-ium-3-carboxamide
PubChem CID6976162
Molecular FormulaC19H20N3O2S+
Molecular Weight354.46 g/mol
Exact Mass354.13
IUPAC NameN-(1-benzothiophen-2-ylmethyl)-6-morpholin-4-ylpyridin-1-ium-3-carboxamide
SMILESO=C(NCc1cc2ccccc2s1)c1ccc(N2CCOCC2)[nH+]c1
InChIInChI=1S/C19H19N3O2S/c23-19(21-13-16-11-14-3-1-2-4-17(14)25-16)15-5-6-18(20-12-15)22-7-9-24-10-8-22/h1-6,11-12H,7-10,13H2,(H,21,23)/p+1
InChIKeyJJJXXRUMARPFJE-UHFFFAOYSA-O
XLogP2.48
TPSA55.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-morpholin-4-ylpyridin-1-ium-3-carboxamide
CID 6992898
N-[[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl]-6-morpholin-4-ylpyridin-1-ium-3-carboxamide
CID 7221705
N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-benzothiophene-2-carboxamide
CID 122254849
(3R)-N-(1-benzothiophen-2-ylmethyl)-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 125129924
N-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide
CID 136547172
N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide
CID 110880623
N-[[(2S)-oxolan-2-yl]methyl]-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide
CID 7130464
N-(2-morpholin-4-ylpyrimidin-5-yl)-1-benzothiophene-2-carboxamide
CID 122298901
6-(4-methylpiperidin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide
CID 7130482
N-[(3-bromophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 20886712
4-[(1-benzothiophene-2-carbonylamino)methyl]benzoic acid
CID 45302589
N-[(2-ethoxyphenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 20886710

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-2-ylmethyl)-6-morpholin-4-ylpyridin-1-ium-3-carboxamide?
The IUPAC name of N-(1-benzothiophen-2-ylmethyl)-6-morpholin-4-ylpyridin-1-ium-3-carboxamide (CID 6976162) is N-(1-benzothiophen-2-ylmethyl)-6-morpholin-4-ylpyridin-1-ium-3-carboxamide.
What is the SMILES notation for N-(1-benzothiophen-2-ylmethyl)-6-morpholin-4-ylpyridin-1-ium-3-carboxamide?
The canonical SMILES for N-(1-benzothiophen-2-ylmethyl)-6-morpholin-4-ylpyridin-1-ium-3-carboxamide is O=C(NCc1cc2ccccc2s1)c1ccc(N2CCOCC2)[nH+]c1.
What is the InChIKey of N-(1-benzothiophen-2-ylmethyl)-6-morpholin-4-ylpyridin-1-ium-3-carboxamide?
The InChIKey is JJJXXRUMARPFJE-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H19N3O2S/c23-19(21-13-16-11-14-3-1-2-4-17(14)25-16)15-5-6-18(20-12-15)22-7-9-24-10-8-22/h1-6,11-12H,7-10,13H2,(H,21,23)/p+1.
What are the key properties of N-(1-benzothiophen-2-ylmethyl)-6-morpholin-4-ylpyridin-1-ium-3-carboxamide?
N-(1-benzothiophen-2-ylmethyl)-6-morpholin-4-ylpyridin-1-ium-3-carboxamide has a molecular weight of 354.46 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-2-ylmethyl)-6-morpholin-4-ylpyridin-1-ium-3-carboxamide is sourced from PubChem (CID 6976162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).