2-amino-4-methyl-N-(2-pyridin-3-ylethyl)pentanamide

C13H21N3O — CID 60913916

IUPAC2-amino-4-methyl-N-(2-pyridin-3-ylethyl)pentanamide
SMILESCC(C)CC(N)C(=O)NCCc1cccnc1
InChIInChI=1S/C13H21N3O/c1-10(2)8-12(14)13(17)16-7-5-11-4-3-6-15-9-11/h3-4,6,9-10,12H,5,7-8,14H2,1-2H3,(H,16,17)
InChIKeyIZQANHUEYUOEBN-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.11
Rot. Bonds6

About 2-amino-4-methyl-N-(2-pyridin-3-ylethyl)pentanamide

2-amino-4-methyl-N-(2-pyridin-3-ylethyl)pentanamide (PubChem CID 60913916) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(2-pyridin-3-ylethyl)pentanamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(2-pyridin-3-ylethyl)pentanamide
PubChem CID60913916
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-amino-4-methyl-N-(2-pyridin-3-ylethyl)pentanamide
SMILESCC(C)CC(N)C(=O)NCCc1cccnc1
InChIInChI=1S/C13H21N3O/c1-10(2)8-12(14)13(17)16-7-5-11-4-3-6-15-9-11/h3-4,6,9-10,12H,5,7-8,14H2,1-2H3,(H,16,17)
InChIKeyIZQANHUEYUOEBN-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-phenyl-N-(2-pyridin-3-ylethyl)acetamide
CID 61177946
(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-pyridin-3-ylethyl)propanamide
CID 22689997
2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methylpentanamide
CID 43566283
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203
2-amino-N-(2-pyridin-3-ylethyl)-2-thiophen-2-ylacetamide
CID 113279110
4-chloro-N-[4-methyl-1-oxo-1-(2-pyridin-3-ylethylamino)pentan-2-yl]benzamide
CID 55554912
4-amino-3-methyl-N-(2-pyridin-3-ylethyl)butanamide
CID 81075299
(2S)-2-amino-4-methyl-N-(3-phenylpropyl)pentanamide
CID 22691113
(2S)-2-amino-N-[2-(4-bromophenyl)ethyl]-4-methylpentanamide
CID 94721387
(2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]-4-methylpentanamide;hydrochloride
CID 119675788
2-amino-N-ethyl-3-pyridin-3-ylpropanamide
CID 129276971
2-amino-N-(pyridin-3-ylmethyl)butanamide
CID 43649510

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(2-pyridin-3-ylethyl)pentanamide?
The IUPAC name of 2-amino-4-methyl-N-(2-pyridin-3-ylethyl)pentanamide (CID 60913916) is 2-amino-4-methyl-N-(2-pyridin-3-ylethyl)pentanamide.
What is the SMILES notation for 2-amino-4-methyl-N-(2-pyridin-3-ylethyl)pentanamide?
The canonical SMILES for 2-amino-4-methyl-N-(2-pyridin-3-ylethyl)pentanamide is CC(C)CC(N)C(=O)NCCc1cccnc1.
What is the InChIKey of 2-amino-4-methyl-N-(2-pyridin-3-ylethyl)pentanamide?
The InChIKey is IZQANHUEYUOEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(2)8-12(14)13(17)16-7-5-11-4-3-6-15-9-11/h3-4,6,9-10,12H,5,7-8,14H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-4-methyl-N-(2-pyridin-3-ylethyl)pentanamide?
2-amino-4-methyl-N-(2-pyridin-3-ylethyl)pentanamide has a molecular weight of 235.33 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(2-pyridin-3-ylethyl)pentanamide is sourced from PubChem (CID 60913916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).