3-(tert-butylamino)-N-(pyridin-4-ylmethyl)propanamide

C13H21N3O — CID 60849701

IUPAC3-(tert-butylamino)-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(C)(C)NCCC(=O)NCc1ccncc1
InChIInChI=1S/C13H21N3O/c1-13(2,3)16-9-6-12(17)15-10-11-4-7-14-8-5-11/h4-5,7-8,16H,6,9-10H2,1-3H3,(H,15,17)
InChIKeyWEVFWTZVRIUCFG-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.48
Rot. Bonds5

About 3-(tert-butylamino)-N-(pyridin-4-ylmethyl)propanamide

3-(tert-butylamino)-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 60849701) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-(pyridin-4-ylmethyl)propanamide
PubChem CID60849701
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-(tert-butylamino)-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(C)(C)NCCC(=O)NCc1ccncc1
InChIInChI=1S/C13H21N3O/c1-13(2,3)16-9-6-12(17)15-10-11-4-7-14-8-5-11/h4-5,7-8,16H,6,9-10H2,1-3H3,(H,15,17)
InChIKeyWEVFWTZVRIUCFG-UHFFFAOYSA-N
XLogP1.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(tert-butylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879787
3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 4634724
3-(tert-butylamino)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 60850763
3-(butylamino)-N-(pyridin-4-ylmethyl)propanamide
CID 109012394
4,4,4-trifluoro-N-(pyridin-4-ylmethyl)butanamide
CID 154583502
3-(3-methylbutylamino)-N-(pyridin-4-ylmethyl)propanamide
CID 109023814
4-hydroxy-N-(pyridin-4-ylmethyl)butanamide
CID 79002356
N-(pyridin-4-ylmethyl)dodecanamide
CID 4285447
3-(tert-butylamino)-N-(naphthalen-1-ylmethyl)propanamide
CID 62369453
2-iodo-N-(pyridin-4-ylmethyl)acetamide
CID 138478172
3-(4-bromo-2-methylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 109023898
3-cyano-N-(pyridin-4-ylmethyl)propanamide
CID 82111754

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-(tert-butylamino)-N-(pyridin-4-ylmethyl)propanamide (CID 60849701) is 3-(tert-butylamino)-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-(pyridin-4-ylmethyl)propanamide is CC(C)(C)NCCC(=O)NCc1ccncc1.
What is the InChIKey of 3-(tert-butylamino)-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is WEVFWTZVRIUCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(2,3)16-9-6-12(17)15-10-11-4-7-14-8-5-11/h4-5,7-8,16H,6,9-10H2,1-3H3,(H,15,17).
What are the key properties of 3-(tert-butylamino)-N-(pyridin-4-ylmethyl)propanamide?
3-(tert-butylamino)-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 235.33 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 60849701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).