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

C14H23N3O — CID 61163259

IUPAC(2S)-2-amino-N,3,3-trimethyl-N-(1-pyridin-4-ylethyl)butanamide
SMILESCC(c1ccncc1)N(C)C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C14H23N3O/c1-10(11-6-8-16-9-7-11)17(5)13(18)12(15)14(2,3)4/h6-10,12H,15H2,1-5H3/t10?,12-/m1/s1
InChIKeyIZGUNXQJNLEGCW-TVKKRMFBSA-N
MW249.36 g/mol
LogP1.97
Rot. Bonds3

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

(2S)-2-amino-N,3,3-trimethyl-N-(1-pyridin-4-ylethyl)butanamide (PubChem CID 61163259) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (2S)-2-amino-N,3,3-trimethyl-N-(1-pyridin-4-ylethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N,3,3-trimethyl-N-(1-pyridin-4-ylethyl)butanamide
PubChem CID61163259
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(2S)-2-amino-N,3,3-trimethyl-N-(1-pyridin-4-ylethyl)butanamide
SMILESCC(c1ccncc1)N(C)C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C14H23N3O/c1-10(11-6-8-16-9-7-11)17(5)13(18)12(15)14(2,3)4/h6-10,12H,15H2,1-5H3/t10?,12-/m1/s1
InChIKeyIZGUNXQJNLEGCW-TVKKRMFBSA-N
XLogP1.97
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N,3,3-trimethyl-N-(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

2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60964247
(2R)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide;hydrochloride
CID 120872784
(2R)-2-amino-N-[1-(4-chlorophenyl)ethyl]-N,3,3-trimethylbutanamide
CID 103929186
2-amino-N,3-dimethyl-N-(1-pyridin-4-ylethyl)pentanamide
CID 54874148
(2S)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)hexanamide
CID 113357165
tert-butyl N-methyl-N-(1-pyridin-4-ylethyl)carbamate
CID 63789575
2-amino-N-methyl-4-methylsulfonyl-N-(1-pyridin-4-ylethyl)butanamide
CID 60962966
2-amino-N,2-dimethyl-N-(1-pyridin-4-ylethyl)butanamide
CID 79804986
2-(aminomethyl)-N-methyl-N-(1-pyridin-4-ylethyl)butanamide
CID 65227260
(2R)-2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3,3-trimethylbutanamide
CID 103929396
1-amino-N-methyl-N-(1-pyridin-4-ylethyl)cyclopropane-1-carboxamide
CID 65463841
2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3,3-trimethylbutanamide
CID 76894927

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,3,3-trimethyl-N-(1-pyridin-4-ylethyl)butanamide?
The IUPAC name of (2S)-2-amino-N,3,3-trimethyl-N-(1-pyridin-4-ylethyl)butanamide (CID 61163259) is (2S)-2-amino-N,3,3-trimethyl-N-(1-pyridin-4-ylethyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N,3,3-trimethyl-N-(1-pyridin-4-ylethyl)butanamide?
The canonical SMILES for (2S)-2-amino-N,3,3-trimethyl-N-(1-pyridin-4-ylethyl)butanamide is CC(c1ccncc1)N(C)C(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N,3,3-trimethyl-N-(1-pyridin-4-ylethyl)butanamide?
The InChIKey is IZGUNXQJNLEGCW-TVKKRMFBSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(11-6-8-16-9-7-11)17(5)13(18)12(15)14(2,3)4/h6-10,12H,15H2,1-5H3/t10?,12-/m1/s1.
What are the key properties of (2S)-2-amino-N,3,3-trimethyl-N-(1-pyridin-4-ylethyl)butanamide?
(2S)-2-amino-N,3,3-trimethyl-N-(1-pyridin-4-ylethyl)butanamide has a molecular weight of 249.36 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N,3,3-trimethyl-N-(1-pyridin-4-ylethyl)butanamide is sourced from PubChem (CID 61163259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).