2-(tert-butylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide

C13H21N3O — CID 81406863

IUPAC2-(tert-butylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
SMILESC[C@@H](NC(=O)CNC(C)(C)C)c1ccccn1
InChIInChI=1S/C13H21N3O/c1-10(11-7-5-6-8-14-11)16-12(17)9-15-13(2,3)4/h5-8,10,15H,9H2,1-4H3,(H,16,17)/t10-/m1/s1
InChIKeyWYFKDBIQKMWLMB-SNVBAGLBSA-N
MW235.33 g/mol
LogP1.65
Rot. Bonds4

About 2-(tert-butylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide

2-(tert-butylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide (PubChem CID 81406863) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
PubChem CID81406863
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(tert-butylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
SMILESC[C@@H](NC(=O)CNC(C)(C)C)c1ccccn1
InChIInChI=1S/C13H21N3O/c1-10(11-7-5-6-8-14-11)16-12(17)9-15-13(2,3)4/h5-8,10,15H,9H2,1-4H3,(H,16,17)/t10-/m1/s1
InChIKeyWYFKDBIQKMWLMB-SNVBAGLBSA-N
XLogP1.65
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(tert-butylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
2-(propan-2-ylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407440
2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 81401514
2,2-dimethyl-N-(1-pyridin-2-ylethyl)propanamide
CID 60629083
4-oxo-4-(1-pyridin-2-ylethylamino)butanoic acid
CID 43529024
2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407538
3-amino-N-(1-pyridin-2-ylethyl)butanamide;dihydrochloride
CID 119830348
2-bromo-2-methyl-N-(1-pyridin-2-ylethyl)propanamide
CID 114327632
4-amino-N-(1-pyridin-2-ylethyl)pentanamide;dihydrochloride
CID 120564208
3-methyl-5-oxo-5-[[(1S)-1-pyridin-2-ylethyl]amino]pentanoic acid
CID 81399842
2-(2-hydroxyphenyl)-N-(1-pyridin-2-ylethyl)acetamide
CID 78990806
2-(4-methylphenyl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 25337547

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide?
The IUPAC name of 2-(tert-butylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide (CID 81406863) is 2-(tert-butylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide is C[C@@H](NC(=O)CNC(C)(C)C)c1ccccn1.
What is the InChIKey of 2-(tert-butylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide?
The InChIKey is WYFKDBIQKMWLMB-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(11-7-5-6-8-14-11)16-12(17)9-15-13(2,3)4/h5-8,10,15H,9H2,1-4H3,(H,16,17)/t10-/m1/s1.
What are the key properties of 2-(tert-butylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide?
2-(tert-butylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide has a molecular weight of 235.33 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide is sourced from PubChem (CID 81406863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).