N-[6-(pentylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide

C16H21N3OS — CID 113015222

IUPACN-[6-(pentylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
SMILESCCCCCNc1ccc(NC(=O)Cc2cccs2)cn1
InChIInChI=1S/C16H21N3OS/c1-2-3-4-9-17-15-8-7-13(12-18-15)19-16(20)11-14-6-5-10-21-14/h5-8,10,12H,2-4,9,11H2,1H3,(H,17,18)(H,19,20)
InChIKeyOKGKQSQIAMKGBE-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.93
Rot. Bonds8

About N-[6-(pentylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide

N-[6-(pentylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide (PubChem CID 113015222) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[6-(pentylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[6-(pentylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
PubChem CID113015222
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-[6-(pentylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
SMILESCCCCCNc1ccc(NC(=O)Cc2cccs2)cn1
InChIInChI=1S/C16H21N3OS/c1-2-3-4-9-17-15-8-7-13(12-18-15)19-16(20)11-14-6-5-10-21-14/h5-8,10,12H,2-4,9,11H2,1H3,(H,17,18)(H,19,20)
InChIKeyOKGKQSQIAMKGBE-UHFFFAOYSA-N
XLogP3.93
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(methylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 115268484
N-[6-[2-(2-hydroxyethoxy)ethylamino]-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 28901499
N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113010856
N-[6-(4-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018323
N-[6-(cyclohexylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113010070
N-(6-fluoro-3-pyridinyl)-2-thiophen-2-ylacetamide
CID 103789992
N-[6-(butylamino)-3-pyridinyl]acetamide
CID 113009439
N-[6-(2-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018213
N-[6-(2-chloroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018428
N-[6-(2-propan-2-ylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113017744
N-[6-(3-acetylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113020325
2-chloro-N-[6-(pentylamino)-3-pyridinyl]benzamide
CID 113015233

Frequently Asked Questions

What is the IUPAC name of N-[6-(pentylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[6-(pentylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide (CID 113015222) is N-[6-(pentylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[6-(pentylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[6-(pentylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide is CCCCCNc1ccc(NC(=O)Cc2cccs2)cn1.
What is the InChIKey of N-[6-(pentylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide?
The InChIKey is OKGKQSQIAMKGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-2-3-4-9-17-15-8-7-13(12-18-15)19-16(20)11-14-6-5-10-21-14/h5-8,10,12H,2-4,9,11H2,1H3,(H,17,18)(H,19,20).
What are the key properties of N-[6-(pentylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide?
N-[6-(pentylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide has a molecular weight of 303.43 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(pentylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 113015222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).