6-imidazol-1-yl-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide

C15H14N4OS — CID 51725269

IUPAC6-imidazol-1-yl-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(-n2ccnc2)nc1)c1cccs1
InChIInChI=1S/C15H14N4OS/c1-11(13-3-2-8-21-13)18-15(20)12-4-5-14(17-9-12)19-7-6-16-10-19/h2-11H,1H3,(H,18,20)/t11-/m1/s1
InChIKeyJKHBBQIMZKKIPK-LLVKDONJSA-N
MW298.37 g/mol
LogP2.82
Rot. Bonds4

About 6-imidazol-1-yl-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide

6-imidazol-1-yl-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide (PubChem CID 51725269) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-imidazol-1-yl-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide
PubChem CID51725269
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name6-imidazol-1-yl-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(-n2ccnc2)nc1)c1cccs1
InChIInChI=1S/C15H14N4OS/c1-11(13-3-2-8-21-13)18-15(20)12-4-5-14(17-9-12)19-7-6-16-10-19/h2-11H,1H3,(H,18,20)/t11-/m1/s1
InChIKeyJKHBBQIMZKKIPK-LLVKDONJSA-N
XLogP2.82
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-imidazol-1-yl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
CID 24665671
2-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid
CID 43355195
6-imidazol-1-yl-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide
CID 134001981
6-imidazol-1-yl-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 103856069
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 79246612
N-[1-(4-ethoxyphenyl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 134001965
6-bromo-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 66462490
6-chloro-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 42907558
ethane;6-imidazol-1-yl-N-methylpyridine-3-carboxamide
CID 142231779
N-[1-(1,3-benzodioxol-5-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 134002047
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 51931107
N-ethyl-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152181

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide?
The IUPAC name of 6-imidazol-1-yl-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide (CID 51725269) is 6-imidazol-1-yl-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-imidazol-1-yl-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-imidazol-1-yl-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide is C[C@@H](NC(=O)c1ccc(-n2ccnc2)nc1)c1cccs1.
What is the InChIKey of 6-imidazol-1-yl-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide?
The InChIKey is JKHBBQIMZKKIPK-LLVKDONJSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-11(13-3-2-8-21-13)18-15(20)12-4-5-14(17-9-12)19-7-6-16-10-19/h2-11H,1H3,(H,18,20)/t11-/m1/s1.
What are the key properties of 6-imidazol-1-yl-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide?
6-imidazol-1-yl-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide is sourced from PubChem (CID 51725269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).