N-[(4-ethylphenyl)methyl]-2-thiophen-2-ylpyridine-4-carboxamide

C19H18N2OS — CID 53119711

IUPACN-[(4-ethylphenyl)methyl]-2-thiophen-2-ylpyridine-4-carboxamide
SMILESCCc1ccc(CNC(=O)c2ccnc(-c3cccs3)c2)cc1
InChIInChI=1S/C19H18N2OS/c1-2-14-5-7-15(8-6-14)13-21-19(22)16-9-10-20-17(12-16)18-4-3-11-23-18/h3-12H,2,13H2,1H3,(H,21,22)
InChIKeyOXRLCIFSVIXYIZ-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.30
Rot. Bonds5

About N-[(4-ethylphenyl)methyl]-2-thiophen-2-ylpyridine-4-carboxamide

N-[(4-ethylphenyl)methyl]-2-thiophen-2-ylpyridine-4-carboxamide (PubChem CID 53119711) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2-thiophen-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2-thiophen-2-ylpyridine-4-carboxamide
PubChem CID53119711
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC NameN-[(4-ethylphenyl)methyl]-2-thiophen-2-ylpyridine-4-carboxamide
SMILESCCc1ccc(CNC(=O)c2ccnc(-c3cccs3)c2)cc1
InChIInChI=1S/C19H18N2OS/c1-2-14-5-7-15(8-6-14)13-21-19(22)16-9-10-20-17(12-16)18-4-3-11-23-18/h3-12H,2,13H2,1H3,(H,21,22)
InChIKeyOXRLCIFSVIXYIZ-UHFFFAOYSA-N
XLogP4.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-thiophen-2-yl-4-pyridinyl)methyl]furan-2-carboxamide
CID 91630312
N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylpyridine-4-carboxamide
CID 53119696
2-(2-chlorophenyl)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide
CID 91630326
3-[(dimethylamino)methyl]-N-[(4-ethylphenyl)methyl]benzamide
CID 119041971
3-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166266
N-[3-(2-methylpiperidin-1-yl)propyl]-2-thiophen-2-ylpyridine-4-carboxamide
CID 53036766
4-oxo-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]chromene-2-carboxamide
CID 91630333
N-(pyridin-2-ylmethyl)-3-thiophen-2-ylbenzamide
CID 4015400
2-(5-methylthiophen-2-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 53199668
2-amino-N-benzylpyridine-4-carboxamide
CID 18752897
2-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 55042664
2-N-(4-ethylphenyl)-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086903

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-2-thiophen-2-ylpyridine-4-carboxamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2-thiophen-2-ylpyridine-4-carboxamide (CID 53119711) is N-[(4-ethylphenyl)methyl]-2-thiophen-2-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2-thiophen-2-ylpyridine-4-carboxamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2-thiophen-2-ylpyridine-4-carboxamide is CCc1ccc(CNC(=O)c2ccnc(-c3cccs3)c2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2-thiophen-2-ylpyridine-4-carboxamide?
The InChIKey is OXRLCIFSVIXYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-2-14-5-7-15(8-6-14)13-21-19(22)16-9-10-20-17(12-16)18-4-3-11-23-18/h3-12H,2,13H2,1H3,(H,21,22).
What are the key properties of N-[(4-ethylphenyl)methyl]-2-thiophen-2-ylpyridine-4-carboxamide?
N-[(4-ethylphenyl)methyl]-2-thiophen-2-ylpyridine-4-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-2-thiophen-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 53119711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).