2-amino-3,3-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide

C13H21N3O — CID 76989507

IUPAC2-amino-3,3-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide
SMILESCc1cccnc1CNC(=O)C(N)C(C)(C)C
InChIInChI=1S/C13H21N3O/c1-9-6-5-7-15-10(9)8-16-12(17)11(14)13(2,3)4/h5-7,11H,8,14H2,1-4H3,(H,16,17)
InChIKeyOZPBYZQFENGXHI-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.38
Rot. Bonds3

About 2-amino-3,3-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide

2-amino-3,3-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide (PubChem CID 76989507) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-amino-3,3-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide.

Molecular Properties

Compound Name2-amino-3,3-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide
PubChem CID76989507
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-amino-3,3-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide
SMILESCc1cccnc1CNC(=O)C(N)C(C)(C)C
InChIInChI=1S/C13H21N3O/c1-9-6-5-7-15-10(9)8-16-12(17)11(14)13(2,3)4/h5-7,11H,8,14H2,1-4H3,(H,16,17)
InChIKeyOZPBYZQFENGXHI-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(3-methyl-2-pyridinyl)methyl]propanamide
CID 63306534
2-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-phenylacetamide
CID 63306151
2-amino-N-[(3-methyl-2-pyridinyl)methyl]butanediamide
CID 63306615
(2S,3S)-2-amino-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]pentanamide
CID 63306281
(2S)-2-amino-3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
CID 119688348
2-amino-N-[(3-methyl-2-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119869371
(2S)-2-amino-3,3-dimethyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 119742932
3-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-phenylpropanamide;dihydrochloride
CID 119869372
2-(tert-butylamino)-N-[(3-methyl-2-pyridinyl)methyl]acetamide
CID 78942030
2-amino-3,3-dimethyl-N-(pyridazin-3-ylmethyl)butanamide
CID 106896139
1-(2-hydroxy-2,3-dimethylpentyl)-3-[(3-methyl-2-pyridinyl)methyl]urea
CID 111121213
2,2,2-trifluoroethyl N-[(3-methyl-2-pyridinyl)methyl]carbamate
CID 63373657

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide?
The IUPAC name of 2-amino-3,3-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide (CID 76989507) is 2-amino-3,3-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide.
What is the SMILES notation for 2-amino-3,3-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide?
The canonical SMILES for 2-amino-3,3-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide is Cc1cccnc1CNC(=O)C(N)C(C)(C)C.
What is the InChIKey of 2-amino-3,3-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide?
The InChIKey is OZPBYZQFENGXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-6-5-7-15-10(9)8-16-12(17)11(14)13(2,3)4/h5-7,11H,8,14H2,1-4H3,(H,16,17).
What are the key properties of 2-amino-3,3-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide?
2-amino-3,3-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide has a molecular weight of 235.33 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide is sourced from PubChem (CID 76989507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).