N-[2-[(1-pyridin-4-ylethylamino)methyl]thiophen-3-yl]acetamide

C14H17N3OS — CID 66387309

IUPACN-[2-[(1-pyridin-4-ylethylamino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNC(C)c1ccncc1
InChIInChI=1S/C14H17N3OS/c1-10(12-3-6-15-7-4-12)16-9-14-13(5-8-19-14)17-11(2)18/h3-8,10,16H,9H2,1-2H3,(H,17,18)
InChIKeyMEGUONJUPFRJFF-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.95
Rot. Bonds5

About N-[2-[(1-pyridin-4-ylethylamino)methyl]thiophen-3-yl]acetamide

N-[2-[(1-pyridin-4-ylethylamino)methyl]thiophen-3-yl]acetamide (PubChem CID 66387309) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-[2-[(1-pyridin-4-ylethylamino)methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(1-pyridin-4-ylethylamino)methyl]thiophen-3-yl]acetamide
PubChem CID66387309
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-[2-[(1-pyridin-4-ylethylamino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNC(C)c1ccncc1
InChIInChI=1S/C14H17N3OS/c1-10(12-3-6-15-7-4-12)16-9-14-13(5-8-19-14)17-11(2)18/h3-8,10,16H,9H2,1-2H3,(H,17,18)
InChIKeyMEGUONJUPFRJFF-UHFFFAOYSA-N
XLogP2.95
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[[(1R)-1-phenylethyl]amino]methyl]thiophen-3-yl]acetamide
CID 81350667
N-[2-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]thiophen-3-yl]acetamide
CID 79254280
N-[2-[(4-hydroxypentan-2-ylamino)methyl]thiophen-3-yl]acetamide
CID 113376055
N-[2-[(1-methylsulfonylpropan-2-ylamino)methyl]thiophen-3-yl]acetamide
CID 66387613
(1S)-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81406357
N-[2-[(3-acetamidothiophen-2-yl)methylamino]ethyl]-2-methylpropanamide
CID 66386114
N-[2-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide
CID 106159011
N-[2-[[(4-propan-2-ylphenyl)methylamino]methyl]thiophen-3-yl]acetamide
CID 66386592
N-[2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide
CID 106186084
N-[2-[(3-propan-2-ylanilino)methyl]thiophen-3-yl]acetamide
CID 66386116
N-[2-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]thiophen-3-yl]acetamide
CID 66387407
N-[2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]thiophen-3-yl]acetamide
CID 66385194

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-pyridin-4-ylethylamino)methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[(1-pyridin-4-ylethylamino)methyl]thiophen-3-yl]acetamide (CID 66387309) is N-[2-[(1-pyridin-4-ylethylamino)methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[(1-pyridin-4-ylethylamino)methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[(1-pyridin-4-ylethylamino)methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CNC(C)c1ccncc1.
What is the InChIKey of N-[2-[(1-pyridin-4-ylethylamino)methyl]thiophen-3-yl]acetamide?
The InChIKey is MEGUONJUPFRJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10(12-3-6-15-7-4-12)16-9-14-13(5-8-19-14)17-11(2)18/h3-8,10,16H,9H2,1-2H3,(H,17,18).
What are the key properties of N-[2-[(1-pyridin-4-ylethylamino)methyl]thiophen-3-yl]acetamide?
N-[2-[(1-pyridin-4-ylethylamino)methyl]thiophen-3-yl]acetamide has a molecular weight of 275.38 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-pyridin-4-ylethylamino)methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 66387309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).