3-amino-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide

C13H21N3O — CID 115154468

IUPAC3-amino-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide
SMILESCC(N)CC(=O)NCC(C)(C)c1ccncc1
InChIInChI=1S/C13H21N3O/c1-10(14)8-12(17)16-9-13(2,3)11-4-6-15-7-5-11/h4-7,10H,8-9,14H2,1-3H3,(H,16,17)
InChIKeyXZRGKWXBQHHKHL-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.21
Rot. Bonds5

About 3-amino-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide

3-amino-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide (PubChem CID 115154468) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-amino-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide
PubChem CID115154468
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-amino-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide
SMILESCC(N)CC(=O)NCC(C)(C)c1ccncc1
InChIInChI=1S/C13H21N3O/c1-10(14)8-12(17)16-9-13(2,3)11-4-6-15-7-5-11/h4-7,10H,8-9,14H2,1-3H3,(H,16,17)
InChIKeyXZRGKWXBQHHKHL-UHFFFAOYSA-N
XLogP1.21
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2-methyl-2-pyridin-4-ylpropyl)acetamide
CID 115162284
4-amino-4-methyl-N-(2-methyl-2-pyridin-4-ylpropyl)pentanamide
CID 115157653
3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]-4-oxobutanoic acid
CID 115164730
3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]butanamide
CID 115154464
N-(2-methyl-2-pyridin-4-ylpropyl)-2-oxopropanamide
CID 115176145
3-amino-N-[2-(3-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride
CID 120873398
3-amino-N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]butanamide;hydrochloride
CID 119760047
3-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]butanamide;hydrochloride
CID 119773046
3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]butanoic acid
CID 115220167
2-(methylamino)-3-[(2-methyl-2-pyridin-4-ylpropyl)amino]-3-oxopropanoic acid
CID 115189572
2-(hydroxymethyl)-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide
CID 115186798
2-methyl-4-[(2-methyl-2-pyridin-3-ylpropyl)amino]-4-oxobutanoic acid
CID 115165229

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide?
The IUPAC name of 3-amino-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide (CID 115154468) is 3-amino-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide.
What is the SMILES notation for 3-amino-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide?
The canonical SMILES for 3-amino-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide is CC(N)CC(=O)NCC(C)(C)c1ccncc1.
What is the InChIKey of 3-amino-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide?
The InChIKey is XZRGKWXBQHHKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(14)8-12(17)16-9-13(2,3)11-4-6-15-7-5-11/h4-7,10H,8-9,14H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide?
3-amino-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide has a molecular weight of 235.33 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide is sourced from PubChem (CID 115154468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).