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

C13H21N3O — CID 115155544

IUPAC4-amino-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide
SMILESCC(C)(CNC(=O)CCCN)c1cccnc1
InChIInChI=1S/C13H21N3O/c1-13(2,11-5-4-8-15-9-11)10-16-12(17)6-3-7-14/h4-5,8-9H,3,6-7,10,14H2,1-2H3,(H,16,17)
InChIKeyQJVZKQMMACRTTP-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.21
Rot. Bonds6

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

4-amino-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide (PubChem CID 115155544) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-amino-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide
PubChem CID115155544
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-amino-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide
SMILESCC(C)(CNC(=O)CCCN)c1cccnc1
InChIInChI=1S/C13H21N3O/c1-13(2,11-5-4-8-15-9-11)10-16-12(17)6-3-7-14/h4-5,8-9H,3,6-7,10,14H2,1-2H3,(H,16,17)
InChIKeyQJVZKQMMACRTTP-UHFFFAOYSA-N
XLogP1.21
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

N-(2-methyl-2-pyridin-3-ylpropyl)-3-sulfanylpropanamide
CID 115168144
4-[(2-methyl-2-pyridin-3-ylpropyl)amino]-4-oxobutanoic acid
CID 115163778
N-(2-methyl-2-pyridin-3-ylpropyl)-3-oxobutanamide
CID 115176671
(2-methyl-2-pyridin-3-ylpropyl)urea
CID 115168843
4-amino-2,2-dimethyl-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide
CID 115157165
3-amino-2,2-dimethyl-N-(2-methyl-2-pyridin-3-ylpropyl)propanamide
CID 115154800
2-cyano-N-(2-methyl-2-pyridin-3-ylpropyl)acetamide
CID 115173451
4-amino-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride
CID 119318689
2,2-dimethyl-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]-3-oxopropanoic acid
CID 115164093
4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]butanamide;hydrochloride
CID 119318753
2-methyl-4-[(2-methyl-2-pyridin-3-ylpropyl)amino]-4-oxobutanoic acid
CID 115165229
4-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]butanamide
CID 110460825

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide?
The IUPAC name of 4-amino-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide (CID 115155544) is 4-amino-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide.
What is the SMILES notation for 4-amino-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide?
The canonical SMILES for 4-amino-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide is CC(C)(CNC(=O)CCCN)c1cccnc1.
What is the InChIKey of 4-amino-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide?
The InChIKey is QJVZKQMMACRTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(2,11-5-4-8-15-9-11)10-16-12(17)6-3-7-14/h4-5,8-9H,3,6-7,10,14H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide?
4-amino-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide has a molecular weight of 235.33 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide is sourced from PubChem (CID 115155544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).