2-(2-aminoethyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide

C13H21N3O — CID 112515558

IUPAC2-(2-aminoethyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide
SMILESCC(C)C(CCN)C(=O)NCc1cccnc1
InChIInChI=1S/C13H21N3O/c1-10(2)12(5-6-14)13(17)16-9-11-4-3-7-15-8-11/h3-4,7-8,10,12H,5-6,9,14H2,1-2H3,(H,16,17)
InChIKeyFBEFIBXKUDBKET-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.32
Rot. Bonds6

About 2-(2-aminoethyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide

2-(2-aminoethyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 112515558) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(2-aminoethyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide
PubChem CID112515558
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(2-aminoethyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide
SMILESCC(C)C(CCN)C(=O)NCc1cccnc1
InChIInChI=1S/C13H21N3O/c1-10(2)12(5-6-14)13(17)16-9-11-4-3-7-15-8-11/h3-4,7-8,10,12H,5-6,9,14H2,1-2H3,(H,16,17)
InChIKeyFBEFIBXKUDBKET-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 18655127
6-amino-2-methyl-N-(pyridin-3-ylmethyl)heptanamide
CID 65292854
2-methyl-N-(pyridin-3-ylmethyl)-3-sulfanylpropanamide
CID 88670625
2-amino-N-(pyridin-3-ylmethyl)butanamide
CID 43649510
(2S)-2-[(4-chlorophenyl)carbamoylamino]-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 110348871
3-methyl-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)butanamide
CID 110316795
1-(2-aminophenyl)-3-(pyridin-3-ylmethyl)urea
CID 67416886
(2S)-5-amino-N-[3-methyl-1-oxo-1-(pyridin-3-ylmethylamino)butan-2-yl]-6-phenylmethoxy-2-propan-2-ylhexanamide
CID 145469331
(2S)-2-(dimethylsulfamoylamino)-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 110348899
(2S)-2-hydroxy-4-phenyl-N-(pyridin-3-ylmethyl)butanamide
CID 169192519
2-benzylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 2898433
2-phenylmethoxy-N-(pyridin-3-ylmethyl)propanamide
CID 42959352

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of 2-(2-aminoethyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide (CID 112515558) is 2-(2-aminoethyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for 2-(2-aminoethyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for 2-(2-aminoethyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide is CC(C)C(CCN)C(=O)NCc1cccnc1.
What is the InChIKey of 2-(2-aminoethyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is FBEFIBXKUDBKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(2)12(5-6-14)13(17)16-9-11-4-3-7-15-8-11/h3-4,7-8,10,12H,5-6,9,14H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-aminoethyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide?
2-(2-aminoethyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 235.33 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 112515558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).