2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide

C12H19N3O — CID 24698631

IUPAC2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide
SMILESCC(C)C(N)C(=O)NCCc1ccccn1
InChIInChI=1S/C12H19N3O/c1-9(2)11(13)12(16)15-8-6-10-5-3-4-7-14-10/h3-5,7,9,11H,6,8,13H2,1-2H3,(H,15,16)
InChIKeyCHOKAYASNMPFEI-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.72
Rot. Bonds5

About 2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide

2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide (PubChem CID 24698631) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide
PubChem CID24698631
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide
SMILESCC(C)C(N)C(=O)NCCc1ccccn1
InChIInChI=1S/C12H19N3O/c1-9(2)11(13)12(16)15-8-6-10-5-3-4-7-14-10/h3-5,7,9,11H,6,8,13H2,1-2H3,(H,15,16)
InChIKeyCHOKAYASNMPFEI-UHFFFAOYSA-N
XLogP0.72
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
2-chloro-N-(2-pyridin-2-ylethyl)propanamide
CID 24692533
2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid
CID 114897299
(2R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)propanamide
CID 94025060
5-amino-N-(2-pyridin-2-ylethyl)hexanamide
CID 82848295
ethyl 3,3-dimethyl-2-(2-pyridin-2-ylethylcarbamoyl)butanoate
CID 116537643
(2S)-2-amino-5-oxo-5-(2-pyridin-2-ylethylamino)pentanoic acid
CID 69303223
(2S)-2-amino-3-methyl-N-(2-quinolin-8-ylethyl)butanamide
CID 81427163
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091
3-amino-2-phenyl-N-(2-pyridin-2-ylethyl)-3-sulfanylidenepropanamide
CID 62876524
1-(1-phenylethyl)-3-(2-pyridin-2-ylethyl)urea
CID 47134004
(2R)-N-(2-pyridin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943722

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide?
The IUPAC name of 2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide (CID 24698631) is 2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide.
What is the SMILES notation for 2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide?
The canonical SMILES for 2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide is CC(C)C(N)C(=O)NCCc1ccccn1.
What is the InChIKey of 2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide?
The InChIKey is CHOKAYASNMPFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9(2)11(13)12(16)15-8-6-10-5-3-4-7-14-10/h3-5,7,9,11H,6,8,13H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide?
2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide has a molecular weight of 221.30 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide is sourced from PubChem (CID 24698631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).