2-amino-2-ethyl-N-methyl-N-(pyridin-3-ylmethyl)butanamide

C13H21N3O — CID 79809149

IUPAC2-amino-2-ethyl-N-methyl-N-(pyridin-3-ylmethyl)butanamide
SMILESCCC(N)(CC)C(=O)N(C)Cc1cccnc1
InChIInChI=1S/C13H21N3O/c1-4-13(14,5-2)12(17)16(3)10-11-7-6-8-15-9-11/h6-9H,4-5,10,14H2,1-3H3
InChIKeySHLAUQVVAANMTO-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.56
Rot. Bonds5

About 2-amino-2-ethyl-N-methyl-N-(pyridin-3-ylmethyl)butanamide

2-amino-2-ethyl-N-methyl-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 79809149) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-amino-2-ethyl-N-methyl-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name2-amino-2-ethyl-N-methyl-N-(pyridin-3-ylmethyl)butanamide
PubChem CID79809149
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-amino-2-ethyl-N-methyl-N-(pyridin-3-ylmethyl)butanamide
SMILESCCC(N)(CC)C(=O)N(C)Cc1cccnc1
InChIInChI=1S/C13H21N3O/c1-4-13(14,5-2)12(17)16(3)10-11-7-6-8-15-9-11/h6-9H,4-5,10,14H2,1-3H3
InChIKeySHLAUQVVAANMTO-UHFFFAOYSA-N
XLogP1.56
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(Z)-N'-hydroxycarbamimidoyl]-N,2-dimethyl-N-(pyridin-3-ylmethyl)butanamide
CID 114292663
3-chloro-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)propanamide
CID 63681105
3-amino-N-methyl-N-(pyridin-3-ylmethyl)butanamide;dihydrochloride
CID 119958236
2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340
2-[methyl(pyridin-3-ylmethyl)carbamoyl]butanoic acid
CID 115186030
2-amino-N-methyl-N-(pyridin-3-ylmethyl)butanediamide
CID 54928060
2-ethyl-1-N-methyl-1-N-(pyridin-3-ylmethyl)butane-1,2-diamine
CID 79813886
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
1-methyl-3-propyl-1-(pyridin-3-ylmethyl)urea
CID 78786415
3-amino-2-hydroxy-N-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 115180694
(2S,3S)-2-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)pentanamide
CID 61155588
N-(pyridin-3-ylmethyl)propanehydrazide
CID 70312825

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-N-methyl-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of 2-amino-2-ethyl-N-methyl-N-(pyridin-3-ylmethyl)butanamide (CID 79809149) is 2-amino-2-ethyl-N-methyl-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for 2-amino-2-ethyl-N-methyl-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for 2-amino-2-ethyl-N-methyl-N-(pyridin-3-ylmethyl)butanamide is CCC(N)(CC)C(=O)N(C)Cc1cccnc1.
What is the InChIKey of 2-amino-2-ethyl-N-methyl-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is SHLAUQVVAANMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-13(14,5-2)12(17)16(3)10-11-7-6-8-15-9-11/h6-9H,4-5,10,14H2,1-3H3.
What are the key properties of 2-amino-2-ethyl-N-methyl-N-(pyridin-3-ylmethyl)butanamide?
2-amino-2-ethyl-N-methyl-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 235.33 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-N-methyl-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 79809149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).