3-amino-2,2,3-trimethyl-N-[(1S)-1-pyridin-4-ylethyl]butanamide

C14H23N3O — CID 81410592

IUPAC3-amino-2,2,3-trimethyl-N-[(1S)-1-pyridin-4-ylethyl]butanamide
SMILESC[C@H](NC(=O)C(C)(C)C(C)(C)N)c1ccncc1
InChIInChI=1S/C14H23N3O/c1-10(11-6-8-16-9-7-11)17-12(18)13(2,3)14(4,5)15/h6-10H,15H2,1-5H3,(H,17,18)/t10-/m0/s1
InChIKeySVUZMJFGSXIDHL-JTQLQIEISA-N
MW249.36 g/mol
LogP2.02
Rot. Bonds4

About 3-amino-2,2,3-trimethyl-N-[(1S)-1-pyridin-4-ylethyl]butanamide

3-amino-2,2,3-trimethyl-N-[(1S)-1-pyridin-4-ylethyl]butanamide (PubChem CID 81410592) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-amino-2,2,3-trimethyl-N-[(1S)-1-pyridin-4-ylethyl]butanamide.

Molecular Properties

Compound Name3-amino-2,2,3-trimethyl-N-[(1S)-1-pyridin-4-ylethyl]butanamide
PubChem CID81410592
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-amino-2,2,3-trimethyl-N-[(1S)-1-pyridin-4-ylethyl]butanamide
SMILESC[C@H](NC(=O)C(C)(C)C(C)(C)N)c1ccncc1
InChIInChI=1S/C14H23N3O/c1-10(11-6-8-16-9-7-11)17-12(18)13(2,3)14(4,5)15/h6-10H,15H2,1-5H3,(H,17,18)/t10-/m0/s1
InChIKeySVUZMJFGSXIDHL-JTQLQIEISA-N
XLogP2.02
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-2,2,3-trimethyl-N-[(1S)-1-pyridin-4-ylethyl]butanamide 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

3-amino-2,2,3-trimethyl-N-(1-phenylethyl)butanamide
CID 65264623
2-bromo-2-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 82110375
2-methyl-2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 81409982
3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide
CID 81363369
2-amino-3,3-dimethyl-N-(1-pyridin-4-ylethyl)butanamide
CID 76893776
2-carbamothioyl-2-methyl-N-(1-pyridin-4-ylethyl)butanamide
CID 114291939
(2R)-2-amino-3-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide
CID 81410169
1-propan-2-yl-3-(1-pyridin-4-ylethyl)urea
CID 110748295
3-amino-2,2,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 65269980
1-(2,2-dimethylpropyl)-3-(1-pyridin-4-ylethyl)urea
CID 110748297
3-amino-2-methyl-N-[(1R)-1-pyridin-4-ylethyl]propanamide
CID 81409558
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,2,3-trimethylbutanamide
CID 65264508

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2,3-trimethyl-N-[(1S)-1-pyridin-4-ylethyl]butanamide?
The IUPAC name of 3-amino-2,2,3-trimethyl-N-[(1S)-1-pyridin-4-ylethyl]butanamide (CID 81410592) is 3-amino-2,2,3-trimethyl-N-[(1S)-1-pyridin-4-ylethyl]butanamide.
What is the SMILES notation for 3-amino-2,2,3-trimethyl-N-[(1S)-1-pyridin-4-ylethyl]butanamide?
The canonical SMILES for 3-amino-2,2,3-trimethyl-N-[(1S)-1-pyridin-4-ylethyl]butanamide is C[C@H](NC(=O)C(C)(C)C(C)(C)N)c1ccncc1.
What is the InChIKey of 3-amino-2,2,3-trimethyl-N-[(1S)-1-pyridin-4-ylethyl]butanamide?
The InChIKey is SVUZMJFGSXIDHL-JTQLQIEISA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(11-6-8-16-9-7-11)17-12(18)13(2,3)14(4,5)15/h6-10H,15H2,1-5H3,(H,17,18)/t10-/m0/s1.
What are the key properties of 3-amino-2,2,3-trimethyl-N-[(1S)-1-pyridin-4-ylethyl]butanamide?
3-amino-2,2,3-trimethyl-N-[(1S)-1-pyridin-4-ylethyl]butanamide has a molecular weight of 249.36 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2,3-trimethyl-N-[(1S)-1-pyridin-4-ylethyl]butanamide is sourced from PubChem (CID 81410592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).