N-benzyl-6-thiophen-2-ylpyridine-3-carboxamide

C17H14N2OS — CID 54760394

IUPACN-benzyl-6-thiophen-2-ylpyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(-c2cccs2)nc1
InChIInChI=1S/C17H14N2OS/c20-17(19-11-13-5-2-1-3-6-13)14-8-9-15(18-12-14)16-7-4-10-21-16/h1-10,12H,11H2,(H,19,20)
InChIKeyBZHGDMFAAXXBSW-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.74
Rot. Bonds4

About N-benzyl-6-thiophen-2-ylpyridine-3-carboxamide

N-benzyl-6-thiophen-2-ylpyridine-3-carboxamide (PubChem CID 54760394) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is N-benzyl-6-thiophen-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-thiophen-2-ylpyridine-3-carboxamide
PubChem CID54760394
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC NameN-benzyl-6-thiophen-2-ylpyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(-c2cccs2)nc1
InChIInChI=1S/C17H14N2OS/c20-17(19-11-13-5-2-1-3-6-13)14-8-9-15(18-12-14)16-7-4-10-21-16/h1-10,12H,11H2,(H,19,20)
InChIKeyBZHGDMFAAXXBSW-UHFFFAOYSA-N
XLogP3.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(cyclohexylamino)-oxomethyl]cyclohexyl]-N-(thiophen-2-ylmethyl)-2-pyridinecarboxamide
CID 5236771
N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 573874
Pyrrolopyridine, 13
CID 16719973
Pyrrolopyridine, 15
CID 16719976
N-(2-amino-5-(thiophen-2-yl)phenyl)nicotinamide
CID 44454416
Benzo[b]thiophen-3-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606339
N-[3-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide
CID 822274
N-[4-(pyridine-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 1511238
N-[4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide
CID 668683
N-[4-(propan-2-yl)phenyl]-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644838
N-(3-methylphenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644843
N-(3-{2-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]ethynyl}phenyl)pyridine-3-carboxamide
CID 25138000

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-thiophen-2-ylpyridine-3-carboxamide?
The IUPAC name of N-benzyl-6-thiophen-2-ylpyridine-3-carboxamide (CID 54760394) is N-benzyl-6-thiophen-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-thiophen-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-benzyl-6-thiophen-2-ylpyridine-3-carboxamide is O=C(NCc1ccccc1)c1ccc(-c2cccs2)nc1.
What is the InChIKey of N-benzyl-6-thiophen-2-ylpyridine-3-carboxamide?
The InChIKey is BZHGDMFAAXXBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c20-17(19-11-13-5-2-1-3-6-13)14-8-9-15(18-12-14)16-7-4-10-21-16/h1-10,12H,11H2,(H,19,20).
What are the key properties of N-benzyl-6-thiophen-2-ylpyridine-3-carboxamide?
N-benzyl-6-thiophen-2-ylpyridine-3-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-thiophen-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 54760394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).