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

C13H21N3O — CID 76893776

IUPAC2-amino-3,3-dimethyl-N-(1-pyridin-4-ylethyl)butanamide
SMILESCC(NC(=O)C(N)C(C)(C)C)c1ccncc1
InChIInChI=1S/C13H21N3O/c1-9(10-5-7-15-8-6-10)16-12(17)11(14)13(2,3)4/h5-9,11H,14H2,1-4H3,(H,16,17)
InChIKeyJZDADORVQFBTRD-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.63
Rot. Bonds3

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

2-amino-3,3-dimethyl-N-(1-pyridin-4-ylethyl)butanamide (PubChem CID 76893776) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-amino-3,3-dimethyl-N-(1-pyridin-4-ylethyl)butanamide.

Molecular Properties

Compound Name2-amino-3,3-dimethyl-N-(1-pyridin-4-ylethyl)butanamide
PubChem CID76893776
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-amino-3,3-dimethyl-N-(1-pyridin-4-ylethyl)butanamide
SMILESCC(NC(=O)C(N)C(C)(C)C)c1ccncc1
InChIInChI=1S/C13H21N3O/c1-9(10-5-7-15-8-6-10)16-12(17)11(14)13(2,3)4/h5-9,11H,14H2,1-4H3,(H,16,17)
InChIKeyJZDADORVQFBTRD-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide
CID 81410169
(2S)-2-amino-3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 61178572
(2S)-2-amino-3,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 81356570
(2R)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide
CID 103928603
(2R)-2-amino-3,3-dimethyl-N-(1-pyridin-3-ylethyl)butanamide
CID 103928477
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3,3-dimethylbutanamide
CID 103930283
2-amino-N-[1-(4-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 76896717
(2R)-2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide
CID 103928673
2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide
CID 76887263
3-amino-2,2,3-trimethyl-N-[(1S)-1-pyridin-4-ylethyl]butanamide
CID 81410592
(2R)-2-amino-4-methyl-N-[(1S)-1-pyridin-4-ylethyl]pentanamide
CID 93096829
3-amino-2-methyl-N-[(1R)-1-pyridin-4-ylethyl]propanamide
CID 81409558

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-dimethyl-N-(1-pyridin-4-ylethyl)butanamide?
The IUPAC name of 2-amino-3,3-dimethyl-N-(1-pyridin-4-ylethyl)butanamide (CID 76893776) is 2-amino-3,3-dimethyl-N-(1-pyridin-4-ylethyl)butanamide.
What is the SMILES notation for 2-amino-3,3-dimethyl-N-(1-pyridin-4-ylethyl)butanamide?
The canonical SMILES for 2-amino-3,3-dimethyl-N-(1-pyridin-4-ylethyl)butanamide is CC(NC(=O)C(N)C(C)(C)C)c1ccncc1.
What is the InChIKey of 2-amino-3,3-dimethyl-N-(1-pyridin-4-ylethyl)butanamide?
The InChIKey is JZDADORVQFBTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(10-5-7-15-8-6-10)16-12(17)11(14)13(2,3)4/h5-9,11H,14H2,1-4H3,(H,16,17).
What are the key properties of 2-amino-3,3-dimethyl-N-(1-pyridin-4-ylethyl)butanamide?
2-amino-3,3-dimethyl-N-(1-pyridin-4-ylethyl)butanamide has a molecular weight of 235.33 g/mol, XLogP of 1.63, 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-(1-pyridin-4-ylethyl)butanamide is sourced from PubChem (CID 76893776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).