3-[5-[(1-benzothiophen-3-ylmethylamino)methyl]-2-pyridinyl]benzamide

C22H19N3OS — CID 25216704

IUPAC3-[5-[(1-benzothiophen-3-ylmethylamino)methyl]-2-pyridinyl]benzamide
SMILESNC(=O)c1cccc(-c2ccc(CNCc3csc4ccccc34)cn2)c1
InChIInChI=1S/C22H19N3OS/c23-22(26)17-5-3-4-16(10-17)20-9-8-15(12-25-20)11-24-13-18-14-27-21-7-2-1-6-19(18)21/h1-10,12,14,24H,11,13H2,(H2,23,26)
InChIKeyXHVVTSWLYPEXII-UHFFFAOYSA-N
MW373.48 g/mol
LogP4.35
Rot. Bonds6

About 3-[5-[(1-benzothiophen-3-ylmethylamino)methyl]-2-pyridinyl]benzamide

3-[5-[(1-benzothiophen-3-ylmethylamino)methyl]-2-pyridinyl]benzamide (PubChem CID 25216704) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is 3-[5-[(1-benzothiophen-3-ylmethylamino)methyl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[5-[(1-benzothiophen-3-ylmethylamino)methyl]-2-pyridinyl]benzamide
PubChem CID25216704
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC Name3-[5-[(1-benzothiophen-3-ylmethylamino)methyl]-2-pyridinyl]benzamide
SMILESNC(=O)c1cccc(-c2ccc(CNCc3csc4ccccc34)cn2)c1
InChIInChI=1S/C22H19N3OS/c23-22(26)17-5-3-4-16(10-17)20-9-8-15(12-25-20)11-24-13-18-14-27-21-7-2-1-6-19(18)21/h1-10,12,14,24H,11,13H2,(H2,23,26)
InChIKeyXHVVTSWLYPEXII-UHFFFAOYSA-N
XLogP4.35
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Sag1.3
CID 5284330
3-(1-benzothiophen-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327663
Maleimide derivative, 5
CID 10477747
Pyrrolopyridine, 13
CID 16719973
Pyrrolopyridine, 15
CID 16719976
4-[(4-Phenylphenyl)amino]thieno[2,3-c]pyridine-2-carboxamide
CID 25218748
Benzo[b]thiophen-3-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606339
N-[4-(pyridine-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 1511238
4-(3-Phenylphenyl)thieno[2,3-c]pyridine-2-carboxamide
CID 25218751
2-Pyridin-4-ylspiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one
CID 54764920
N'-[(E)-2-thienylmethylidene]-6-quinolinecarbohydrazide
CID 9559901
5-Ethyl-N-(2-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 24819750

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(1-benzothiophen-3-ylmethylamino)methyl]-2-pyridinyl]benzamide?
The IUPAC name of 3-[5-[(1-benzothiophen-3-ylmethylamino)methyl]-2-pyridinyl]benzamide (CID 25216704) is 3-[5-[(1-benzothiophen-3-ylmethylamino)methyl]-2-pyridinyl]benzamide.
What is the SMILES notation for 3-[5-[(1-benzothiophen-3-ylmethylamino)methyl]-2-pyridinyl]benzamide?
The canonical SMILES for 3-[5-[(1-benzothiophen-3-ylmethylamino)methyl]-2-pyridinyl]benzamide is NC(=O)c1cccc(-c2ccc(CNCc3csc4ccccc34)cn2)c1.
What is the InChIKey of 3-[5-[(1-benzothiophen-3-ylmethylamino)methyl]-2-pyridinyl]benzamide?
The InChIKey is XHVVTSWLYPEXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3OS/c23-22(26)17-5-3-4-16(10-17)20-9-8-15(12-25-20)11-24-13-18-14-27-21-7-2-1-6-19(18)21/h1-10,12,14,24H,11,13H2,(H2,23,26).
What are the key properties of 3-[5-[(1-benzothiophen-3-ylmethylamino)methyl]-2-pyridinyl]benzamide?
3-[5-[(1-benzothiophen-3-ylmethylamino)methyl]-2-pyridinyl]benzamide has a molecular weight of 373.48 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(1-benzothiophen-3-ylmethylamino)methyl]-2-pyridinyl]benzamide is sourced from PubChem (CID 25216704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).