3-(3,4-dimethylphenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]propanamide

C21H22N2OS — CID 121165797

IUPAC3-(3,4-dimethylphenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]propanamide
SMILESCc1ccc(CCC(=O)NCc2ccnc(-c3ccsc3)c2)cc1C
InChIInChI=1S/C21H22N2OS/c1-15-3-4-17(11-16(15)2)5-6-21(24)23-13-18-7-9-22-20(12-18)19-8-10-25-14-19/h3-4,7-12,14H,5-6,13H2,1-2H3,(H,23,24)
InChIKeyVPANBKBTYBUQAG-UHFFFAOYSA-N
MW350.49 g/mol
LogP4.68
Rot. Bonds6

About 3-(3,4-dimethylphenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]propanamide

3-(3,4-dimethylphenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]propanamide (PubChem CID 121165797) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]propanamide
PubChem CID121165797
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC Name3-(3,4-dimethylphenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]propanamide
SMILESCc1ccc(CCC(=O)NCc2ccnc(-c3ccsc3)c2)cc1C
InChIInChI=1S/C21H22N2OS/c1-15-3-4-17(11-16(15)2)5-6-21(24)23-13-18-7-9-22-20(12-18)19-8-10-25-14-19/h3-4,7-12,14H,5-6,13H2,1-2H3,(H,23,24)
InChIKeyVPANBKBTYBUQAG-UHFFFAOYSA-N
XLogP4.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenoxy)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 91625620
2-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 121165718
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 121165926
3-(3-fluoro-4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]propanamide
CID 90627902
3,5-ditert-butyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide
CID 121165766
1-(2-methoxyphenyl)-3-[(2-thiophen-3-yl-4-pyridinyl)methyl]urea
CID 91625691
5-chloro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]thiophene-2-carboxamide
CID 91625615
2-methylsulfanyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide
CID 91625621
2-(2-chloro-6-fluorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 91625659
2-(4-oxoquinazolin-3-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 91625669
N-[(3-methylphenyl)methyl]-2-thiophen-3-ylpyridine-4-carboxamide
CID 53036784
(2R)-2-phenoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]propanamide
CID 100744368

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]propanamide?
The IUPAC name of 3-(3,4-dimethylphenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]propanamide (CID 121165797) is 3-(3,4-dimethylphenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-(3,4-dimethylphenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]propanamide is Cc1ccc(CCC(=O)NCc2ccnc(-c3ccsc3)c2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]propanamide?
The InChIKey is VPANBKBTYBUQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-15-3-4-17(11-16(15)2)5-6-21(24)23-13-18-7-9-22-20(12-18)19-8-10-25-14-19/h3-4,7-12,14H,5-6,13H2,1-2H3,(H,23,24).
What are the key properties of 3-(3,4-dimethylphenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]propanamide?
3-(3,4-dimethylphenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]propanamide has a molecular weight of 350.49 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]propanamide is sourced from PubChem (CID 121165797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).