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

C20H21N3OS — CID 113017744

IUPACN-[6-(2-propan-2-ylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
SMILESCC(C)c1ccccc1Nc1ccc(NC(=O)Cc2cccs2)cn1
InChIInChI=1S/C20H21N3OS/c1-14(2)17-7-3-4-8-18(17)23-19-10-9-15(13-21-19)22-20(24)12-16-6-5-11-25-16/h3-11,13-14H,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyYFLZCAQFHONVQK-UHFFFAOYSA-N
MW351.48 g/mol
LogP5.19
Rot. Bonds6

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

N-[6-(2-propan-2-ylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide (PubChem CID 113017744) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is N-[6-(2-propan-2-ylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[6-(2-propan-2-ylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
PubChem CID113017744
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC NameN-[6-(2-propan-2-ylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
SMILESCC(C)c1ccccc1Nc1ccc(NC(=O)Cc2cccs2)cn1
InChIInChI=1S/C20H21N3OS/c1-14(2)17-7-3-4-8-18(17)23-19-10-9-15(13-21-19)22-20(24)12-16-6-5-11-25-16/h3-11,13-14H,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyYFLZCAQFHONVQK-UHFFFAOYSA-N
XLogP5.19
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.48
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018213
N-[6-(2-chloroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018428
3-methyl-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]butanamide
CID 113017723
N-[6-(methylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 115268484
N-[6-(4-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018323
methyl 2-[[6-[(2-thiophen-2-ylacetyl)amino]-3-pyridinyl]amino]benzoate
CID 113035267
N-[6-(3-acetylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113020325
2-(4-chlorophenoxy)-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]acetamide
CID 113017751
N-[6-(pentylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113015222
N-[6-(cyclohexylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113010070
N-(6-fluoro-3-pyridinyl)-2-thiophen-2-ylacetamide
CID 103789992
4-chloro-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017755

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-propan-2-ylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[6-(2-propan-2-ylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide (CID 113017744) is N-[6-(2-propan-2-ylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[6-(2-propan-2-ylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[6-(2-propan-2-ylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide is CC(C)c1ccccc1Nc1ccc(NC(=O)Cc2cccs2)cn1.
What is the InChIKey of N-[6-(2-propan-2-ylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide?
The InChIKey is YFLZCAQFHONVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-14(2)17-7-3-4-8-18(17)23-19-10-9-15(13-21-19)22-20(24)12-16-6-5-11-25-16/h3-11,13-14H,12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[6-(2-propan-2-ylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide?
N-[6-(2-propan-2-ylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide has a molecular weight of 351.48 g/mol, XLogP of 5.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-propan-2-ylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 113017744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).