2-amino-5-methoxy-N-(1-pyridin-2-ylethyl)pentanamide

C13H21N3O2 — CID 81081653

IUPAC2-amino-5-methoxy-N-(1-pyridin-2-ylethyl)pentanamide
SMILESCOCCCC(N)C(=O)NC(C)c1ccccn1
InChIInChI=1S/C13H21N3O2/c1-10(12-7-3-4-8-15-12)16-13(17)11(14)6-5-9-18-2/h3-4,7-8,10-11H,5-6,9,14H2,1-2H3,(H,16,17)
InChIKeyAZMRXQBMUWSJCR-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.01
Rot. Bonds7

About 2-amino-5-methoxy-N-(1-pyridin-2-ylethyl)pentanamide

2-amino-5-methoxy-N-(1-pyridin-2-ylethyl)pentanamide (PubChem CID 81081653) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-amino-5-methoxy-N-(1-pyridin-2-ylethyl)pentanamide.

Molecular Properties

Compound Name2-amino-5-methoxy-N-(1-pyridin-2-ylethyl)pentanamide
PubChem CID81081653
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-amino-5-methoxy-N-(1-pyridin-2-ylethyl)pentanamide
SMILESCOCCCC(N)C(=O)NC(C)c1ccccn1
InChIInChI=1S/C13H21N3O2/c1-10(12-7-3-4-8-15-12)16-13(17)11(14)6-5-9-18-2/h3-4,7-8,10-11H,5-6,9,14H2,1-2H3,(H,16,17)
InChIKeyAZMRXQBMUWSJCR-UHFFFAOYSA-N
XLogP1.01
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(1-pyridin-2-ylethyl)pentanamide
CID 43650304
(2S)-2-amino-N-[(1R)-1-pyridin-2-ylethyl]pentanamide
CID 107570243
(2S)-2-amino-N-(1-pyridin-2-ylethyl)butanamide
CID 79024975
(2S)-2-amino-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]pentanamide
CID 81407362
1-[2-(3-methoxypropoxy)phenyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 94550940
2-amino-5-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]pentanamide
CID 81363764
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-methoxypentanamide
CID 81349504
2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407538
2-amino-N-[1-(4-ethoxyphenyl)ethyl]-5-methoxypentanamide
CID 81070435
4-methoxy-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 62480587
(2S)-2-amino-2-phenyl-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 93096974
4-amino-N-(1-pyridin-2-ylethyl)pentanamide;dihydrochloride
CID 120564208

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-N-(1-pyridin-2-ylethyl)pentanamide?
The IUPAC name of 2-amino-5-methoxy-N-(1-pyridin-2-ylethyl)pentanamide (CID 81081653) is 2-amino-5-methoxy-N-(1-pyridin-2-ylethyl)pentanamide.
What is the SMILES notation for 2-amino-5-methoxy-N-(1-pyridin-2-ylethyl)pentanamide?
The canonical SMILES for 2-amino-5-methoxy-N-(1-pyridin-2-ylethyl)pentanamide is COCCCC(N)C(=O)NC(C)c1ccccn1.
What is the InChIKey of 2-amino-5-methoxy-N-(1-pyridin-2-ylethyl)pentanamide?
The InChIKey is AZMRXQBMUWSJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(12-7-3-4-8-15-12)16-13(17)11(14)6-5-9-18-2/h3-4,7-8,10-11H,5-6,9,14H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-5-methoxy-N-(1-pyridin-2-ylethyl)pentanamide?
2-amino-5-methoxy-N-(1-pyridin-2-ylethyl)pentanamide has a molecular weight of 251.33 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-N-(1-pyridin-2-ylethyl)pentanamide is sourced from PubChem (CID 81081653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).