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

C17H21N3OS — CID 113010070

IUPACN-[6-(cyclohexylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(NC2CCCCC2)nc1
InChIInChI=1S/C17H21N3OS/c21-17(11-15-7-4-10-22-15)20-14-8-9-16(18-12-14)19-13-5-2-1-3-6-13/h4,7-10,12-13H,1-3,5-6,11H2,(H,18,19)(H,20,21)
InChIKeyPUHZKAGPYRVPGS-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.07
Rot. Bonds5

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

N-[6-(cyclohexylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide (PubChem CID 113010070) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[6-(cyclohexylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[6-(cyclohexylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
PubChem CID113010070
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-[6-(cyclohexylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(NC2CCCCC2)nc1
InChIInChI=1S/C17H21N3OS/c21-17(11-15-7-4-10-22-15)20-14-8-9-16(18-12-14)19-13-5-2-1-3-6-13/h4,7-10,12-13H,1-3,5-6,11H2,(H,18,19)(H,20,21)
InChIKeyPUHZKAGPYRVPGS-UHFFFAOYSA-N
XLogP4.07
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113013605
N-[6-(methylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 115268484
N-[6-(4-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018323
N-[6-(cyclohexylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113010072
N-[6-(cyclohexylamino)-3-pyridinyl]propanamide
CID 113010037
N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729
N-(6-fluoro-3-pyridinyl)-2-thiophen-2-ylacetamide
CID 103789992
N-[6-(cyclohexylamino)-3-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113010094
N-[6-(cyclohexylamino)-3-pyridinyl]butanamide
CID 113010038
N-[6-(pentylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113015222
N-[6-(2-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018213
N-[6-(2-chloroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018428

Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclohexylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[6-(cyclohexylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide (CID 113010070) is N-[6-(cyclohexylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[6-(cyclohexylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[6-(cyclohexylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1ccc(NC2CCCCC2)nc1.
What is the InChIKey of N-[6-(cyclohexylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide?
The InChIKey is PUHZKAGPYRVPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c21-17(11-15-7-4-10-22-15)20-14-8-9-16(18-12-14)19-13-5-2-1-3-6-13/h4,7-10,12-13H,1-3,5-6,11H2,(H,18,19)(H,20,21).
What are the key properties of N-[6-(cyclohexylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide?
N-[6-(cyclohexylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide has a molecular weight of 315.44 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclohexylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 113010070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).