N-[6-(5-formylthiophen-2-yl)-2-pyridinyl]-3-phenylpropanamide

C19H16N2O2S — CID 142857991

IUPACN-[6-(5-formylthiophen-2-yl)-2-pyridinyl]-3-phenylpropanamide
SMILESO=Cc1ccc(-c2cccc(NC(=O)CCc3ccccc3)n2)s1
InChIInChI=1S/C19H16N2O2S/c22-13-15-10-11-17(24-15)16-7-4-8-18(20-16)21-19(23)12-9-14-5-2-1-3-6-14/h1-8,10-11,13H,9,12H2,(H,20,21,23)
InChIKeyVNWJPDYKBSNEJR-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.19
Rot. Bonds6

About N-[6-(5-formylthiophen-2-yl)-2-pyridinyl]-3-phenylpropanamide

N-[6-(5-formylthiophen-2-yl)-2-pyridinyl]-3-phenylpropanamide (PubChem CID 142857991) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[6-(5-formylthiophen-2-yl)-2-pyridinyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[6-(5-formylthiophen-2-yl)-2-pyridinyl]-3-phenylpropanamide
PubChem CID142857991
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC NameN-[6-(5-formylthiophen-2-yl)-2-pyridinyl]-3-phenylpropanamide
SMILESO=Cc1ccc(-c2cccc(NC(=O)CCc3ccccc3)n2)s1
InChIInChI=1S/C19H16N2O2S/c22-13-15-10-11-17(24-15)16-7-4-8-18(20-16)21-19(23)12-9-14-5-2-1-3-6-14/h1-8,10-11,13H,9,12H2,(H,20,21,23)
InChIKeyVNWJPDYKBSNEJR-UHFFFAOYSA-N
XLogP4.19
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(6-fluoro-2-pyridinyl)-3-phenylpropanamide
CID 104820903
4-amino-N-(6-phenyl-2-pyridinyl)butanamide
CID 110479984
N-(1,5-dimethylpyrazol-3-yl)-3-phenylpropanamide
CID 35761194
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 733834
N-[3-formyl-1-(2-phenylethyl)pyrazol-4-yl]-3-phenylpropanamide
CID 88945714
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
3-phenyl-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propanamide
CID 4799639
N-(6-chloropyrazin-2-yl)-3-phenylpropanamide
CID 115599331
3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
3-phenyl-N-[5-(3-phenylpropanoylamino)naphthalen-1-yl]propanamide
CID 1010239
N-(6-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide
CID 46480468
6-[3-(4-bromophenyl)propanoylamino]pyridine-2-carboxamide
CID 71863207

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-formylthiophen-2-yl)-2-pyridinyl]-3-phenylpropanamide?
The IUPAC name of N-[6-(5-formylthiophen-2-yl)-2-pyridinyl]-3-phenylpropanamide (CID 142857991) is N-[6-(5-formylthiophen-2-yl)-2-pyridinyl]-3-phenylpropanamide.
What is the SMILES notation for N-[6-(5-formylthiophen-2-yl)-2-pyridinyl]-3-phenylpropanamide?
The canonical SMILES for N-[6-(5-formylthiophen-2-yl)-2-pyridinyl]-3-phenylpropanamide is O=Cc1ccc(-c2cccc(NC(=O)CCc3ccccc3)n2)s1.
What is the InChIKey of N-[6-(5-formylthiophen-2-yl)-2-pyridinyl]-3-phenylpropanamide?
The InChIKey is VNWJPDYKBSNEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c22-13-15-10-11-17(24-15)16-7-4-8-18(20-16)21-19(23)12-9-14-5-2-1-3-6-14/h1-8,10-11,13H,9,12H2,(H,20,21,23).
What are the key properties of N-[6-(5-formylthiophen-2-yl)-2-pyridinyl]-3-phenylpropanamide?
N-[6-(5-formylthiophen-2-yl)-2-pyridinyl]-3-phenylpropanamide has a molecular weight of 336.42 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-formylthiophen-2-yl)-2-pyridinyl]-3-phenylpropanamide is sourced from PubChem (CID 142857991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).