(2S,3S)-2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylpentanamide

C14H23N3O3 — CID 61178172

IUPAC(2S,3S)-2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1ccc(OCCOC)nc1
InChIInChI=1S/C14H23N3O3/c1-4-10(2)13(15)14(18)17-11-5-6-12(16-9-11)20-8-7-19-3/h5-6,9-10,13H,4,7-8,15H2,1-3H3,(H,17,18)/t10-,13-/m0/s1
InChIKeyPITSRYZNGFWHDU-GWCFXTLKSA-N
MW281.36 g/mol
LogP1.42
Rot. Bonds8

About (2S,3S)-2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylpentanamide

(2S,3S)-2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylpentanamide (PubChem CID 61178172) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylpentanamide
PubChem CID61178172
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name(2S,3S)-2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1ccc(OCCOC)nc1
InChIInChI=1S/C14H23N3O3/c1-4-10(2)13(15)14(18)17-11-5-6-12(16-9-11)20-8-7-19-3/h5-6,9-10,13H,4,7-8,15H2,1-3H3,(H,17,18)/t10-,13-/m0/s1
InChIKeyPITSRYZNGFWHDU-GWCFXTLKSA-N
XLogP1.42
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 43704147
3-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide
CID 62668693
2-amino-3-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide;dihydrochloride
CID 119849169
2-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methylpentanamide
CID 119849108
2-(butan-2-ylamino)-N-[6-(2-methoxyethoxy)-3-pyridinyl]acetamide
CID 60853381
(2S)-2-amino-N-(6-methoxy-3-pyridinyl)butanamide
CID 79025042
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-(methylamino)acetamide
CID 43704151
2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide
CID 100773616
2-amino-3-methyl-N-(2-phenylpyrimidin-5-yl)pentanamide
CID 43709265
methyl 4-[(2-amino-3-methylpentanoyl)amino]benzoate
CID 61258918
(2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide
CID 61148096
(2S)-2-amino-N-(4-iodophenyl)-3-methylpentanamide
CID 61173167

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylpentanamide (CID 61178172) is (2S,3S)-2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylpentanamide is CC[C@H](C)[C@H](N)C(=O)Nc1ccc(OCCOC)nc1.
What is the InChIKey of (2S,3S)-2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylpentanamide?
The InChIKey is PITSRYZNGFWHDU-GWCFXTLKSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-4-10(2)13(15)14(18)17-11-5-6-12(16-9-11)20-8-7-19-3/h5-6,9-10,13H,4,7-8,15H2,1-3H3,(H,17,18)/t10-,13-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylpentanamide?
(2S,3S)-2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylpentanamide has a molecular weight of 281.36 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylpentanamide is sourced from PubChem (CID 61178172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).