3-amino-2,2,3-trimethyl-N-(2-methyl-4-pyridinyl)butanamide

C13H21N3O — CID 79240943

IUPAC3-amino-2,2,3-trimethyl-N-(2-methyl-4-pyridinyl)butanamide
SMILESCc1cc(NC(=O)C(C)(C)C(C)(C)N)ccn1
InChIInChI=1S/C13H21N3O/c1-9-8-10(6-7-15-9)16-11(17)12(2,3)13(4,5)14/h6-8H,14H2,1-5H3,(H,15,16,17)
InChIKeyMNHSUOLDBJZASB-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.09
Rot. Bonds3

About 3-amino-2,2,3-trimethyl-N-(2-methyl-4-pyridinyl)butanamide

3-amino-2,2,3-trimethyl-N-(2-methyl-4-pyridinyl)butanamide (PubChem CID 79240943) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-amino-2,2,3-trimethyl-N-(2-methyl-4-pyridinyl)butanamide.

Molecular Properties

Compound Name3-amino-2,2,3-trimethyl-N-(2-methyl-4-pyridinyl)butanamide
PubChem CID79240943
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-amino-2,2,3-trimethyl-N-(2-methyl-4-pyridinyl)butanamide
SMILESCc1cc(NC(=O)C(C)(C)C(C)(C)N)ccn1
InChIInChI=1S/C13H21N3O/c1-9-8-10(6-7-15-9)16-11(17)12(2,3)13(4,5)14/h6-8H,14H2,1-5H3,(H,15,16,17)
InChIKeyMNHSUOLDBJZASB-UHFFFAOYSA-N
XLogP2.09
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3,3-dimethyl-N-(2-methyl-4-pyridinyl)butanamide
CID 103930161
3-amino-2,2,3-trimethyl-N-quinoxalin-6-ylbutanamide
CID 65269314
2-(4-methoxyphenyl)-2-methyl-N-(2-methyl-4-pyridinyl)propanamide
CID 110439571
methyl N-(2-methyl-4-pyridinyl)carbamate
CID 110756833
3-amino-N-(4-chloro-2-pyridinyl)-2,2,3-trimethylbutanamide
CID 114052264
3-[(3-amino-2,2,3-trimethylbutanoyl)amino]benzamide
CID 65269739
2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-4-pyridinyl)pentanamide
CID 107472380
3-amino-N-(4-hydroxyphenyl)-2,2,3-trimethylbutanamide
CID 65264564
2-methyl-N-(2-methyl-4-pyridinyl)prop-2-enamide
CID 174936648
(2R)-2-hydroxy-N-(2-methyl-4-pyridinyl)propanamide
CID 131207206
4-hydroxy-N-(2-methyl-4-pyridinyl)butanamide
CID 79240902
N-(2-methyl-4-pyridinyl)butanamide
CID 78910950

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2,3-trimethyl-N-(2-methyl-4-pyridinyl)butanamide?
The IUPAC name of 3-amino-2,2,3-trimethyl-N-(2-methyl-4-pyridinyl)butanamide (CID 79240943) is 3-amino-2,2,3-trimethyl-N-(2-methyl-4-pyridinyl)butanamide.
What is the SMILES notation for 3-amino-2,2,3-trimethyl-N-(2-methyl-4-pyridinyl)butanamide?
The canonical SMILES for 3-amino-2,2,3-trimethyl-N-(2-methyl-4-pyridinyl)butanamide is Cc1cc(NC(=O)C(C)(C)C(C)(C)N)ccn1.
What is the InChIKey of 3-amino-2,2,3-trimethyl-N-(2-methyl-4-pyridinyl)butanamide?
The InChIKey is MNHSUOLDBJZASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-8-10(6-7-15-9)16-11(17)12(2,3)13(4,5)14/h6-8H,14H2,1-5H3,(H,15,16,17).
What are the key properties of 3-amino-2,2,3-trimethyl-N-(2-methyl-4-pyridinyl)butanamide?
3-amino-2,2,3-trimethyl-N-(2-methyl-4-pyridinyl)butanamide has a molecular weight of 235.33 g/mol, XLogP of 2.09, 3 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-(2-methyl-4-pyridinyl)butanamide is sourced from PubChem (CID 79240943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).