N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1-benzothiophene-2-carboxamide

C19H16N4OS — CID 122162683

IUPACN-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1-benzothiophene-2-carboxamide
SMILESCn1nccc1-c1ccc(CNC(=O)c2cc3ccccc3s2)cn1
InChIInChI=1S/C19H16N4OS/c1-23-16(8-9-22-23)15-7-6-13(11-20-15)12-21-19(24)18-10-14-4-2-3-5-17(14)25-18/h2-11H,12H2,1H3,(H,21,24)
InChIKeyUFGHMESTPVCGDC-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.63
Rot. Bonds4

About N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1-benzothiophene-2-carboxamide

N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1-benzothiophene-2-carboxamide (PubChem CID 122162683) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1-benzothiophene-2-carboxamide
PubChem CID122162683
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC NameN-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1-benzothiophene-2-carboxamide
SMILESCn1nccc1-c1ccc(CNC(=O)c2cc3ccccc3s2)cn1
InChIInChI=1S/C19H16N4OS/c1-23-16(8-9-22-23)15-7-6-13(11-20-15)12-21-19(24)18-10-14-4-2-3-5-17(14)25-18/h2-11H,12H2,1H3,(H,21,24)
InChIKeyUFGHMESTPVCGDC-UHFFFAOYSA-N
XLogP3.63
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(furan-2-yl)-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide
CID 122162680
N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-pyrazol-1-ylbenzamide
CID 122162690
N-[(4-hydroxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 115577883
N-[(4-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 70919647
N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122162686
3-(2-methylphenyl)-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 122162670
4-[(1-benzothiophene-2-carbonylamino)methyl]benzoic acid
CID 45302589
N-[(2-ethoxy-4-pyridinyl)methyl]-1-benzothiophene-2-carboxamide
CID 52606280
N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122162679
N-[[3-(hydroxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 63311495
2-(4-fluorophenoxy)-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]acetamide
CID 121023422
N-(1,3-benzodioxol-5-ylmethyl)-1-benzothiophene-2-carboxamide
CID 2810328

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1-benzothiophene-2-carboxamide (CID 122162683) is N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1-benzothiophene-2-carboxamide is Cn1nccc1-c1ccc(CNC(=O)c2cc3ccccc3s2)cn1.
What is the InChIKey of N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is UFGHMESTPVCGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-23-16(8-9-22-23)15-7-6-13(11-20-15)12-21-19(24)18-10-14-4-2-3-5-17(14)25-18/h2-11H,12H2,1H3,(H,21,24).
What are the key properties of N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1-benzothiophene-2-carboxamide?
N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 122162683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).