N-tert-butyl-3-(1-thieno[3,2-b]pyridin-6-ylethylamino)propanamide

C16H23N3OS — CID 115889391

IUPACN-tert-butyl-3-(1-thieno[3,2-b]pyridin-6-ylethylamino)propanamide
SMILESCC(NCCC(=O)NC(C)(C)C)c1cnc2ccsc2c1
InChIInChI=1S/C16H23N3OS/c1-11(17-7-5-15(20)19-16(2,3)4)12-9-14-13(18-10-12)6-8-21-14/h6,8-11,17H,5,7H2,1-4H3,(H,19,20)
InChIKeyYXXAMQLDOOSVOJ-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.25
Rot. Bonds5

About N-tert-butyl-3-(1-thieno[3,2-b]pyridin-6-ylethylamino)propanamide

N-tert-butyl-3-(1-thieno[3,2-b]pyridin-6-ylethylamino)propanamide (PubChem CID 115889391) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-tert-butyl-3-(1-thieno[3,2-b]pyridin-6-ylethylamino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(1-thieno[3,2-b]pyridin-6-ylethylamino)propanamide
PubChem CID115889391
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-tert-butyl-3-(1-thieno[3,2-b]pyridin-6-ylethylamino)propanamide
SMILESCC(NCCC(=O)NC(C)(C)C)c1cnc2ccsc2c1
InChIInChI=1S/C16H23N3OS/c1-11(17-7-5-15(20)19-16(2,3)4)12-9-14-13(18-10-12)6-8-21-14/h6,8-11,17H,5,7H2,1-4H3,(H,19,20)
InChIKeyYXXAMQLDOOSVOJ-UHFFFAOYSA-N
XLogP3.25
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(1-thieno[3,2-b]pyridin-6-ylethylamino)propanamide?
The IUPAC name of N-tert-butyl-3-(1-thieno[3,2-b]pyridin-6-ylethylamino)propanamide (CID 115889391) is N-tert-butyl-3-(1-thieno[3,2-b]pyridin-6-ylethylamino)propanamide.
What is the SMILES notation for N-tert-butyl-3-(1-thieno[3,2-b]pyridin-6-ylethylamino)propanamide?
The canonical SMILES for N-tert-butyl-3-(1-thieno[3,2-b]pyridin-6-ylethylamino)propanamide is CC(NCCC(=O)NC(C)(C)C)c1cnc2ccsc2c1.
What is the InChIKey of N-tert-butyl-3-(1-thieno[3,2-b]pyridin-6-ylethylamino)propanamide?
The InChIKey is YXXAMQLDOOSVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-11(17-7-5-15(20)19-16(2,3)4)12-9-14-13(18-10-12)6-8-21-14/h6,8-11,17H,5,7H2,1-4H3,(H,19,20).
What are the key properties of N-tert-butyl-3-(1-thieno[3,2-b]pyridin-6-ylethylamino)propanamide?
N-tert-butyl-3-(1-thieno[3,2-b]pyridin-6-ylethylamino)propanamide has a molecular weight of 305.45 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(1-thieno[3,2-b]pyridin-6-ylethylamino)propanamide is sourced from PubChem (CID 115889391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).