(2S)-2-amino-N-(6-ethoxy-3-pyridinyl)pentanamide

C12H19N3O2 — CID 107570145

IUPAC(2S)-2-amino-N-(6-ethoxy-3-pyridinyl)pentanamide
SMILESCCC[C@H](N)C(=O)Nc1ccc(OCC)nc1
InChIInChI=1S/C12H19N3O2/c1-3-5-10(13)12(16)15-9-6-7-11(14-8-9)17-4-2/h6-8,10H,3-5,13H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyKJCSNVZIPSLCFB-JTQLQIEISA-N
MW237.30 g/mol
LogP1.55
Rot. Bonds6

About (2S)-2-amino-N-(6-ethoxy-3-pyridinyl)pentanamide

(2S)-2-amino-N-(6-ethoxy-3-pyridinyl)pentanamide (PubChem CID 107570145) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (2S)-2-amino-N-(6-ethoxy-3-pyridinyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(6-ethoxy-3-pyridinyl)pentanamide
PubChem CID107570145
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(2S)-2-amino-N-(6-ethoxy-3-pyridinyl)pentanamide
SMILESCCC[C@H](N)C(=O)Nc1ccc(OCC)nc1
InChIInChI=1S/C12H19N3O2/c1-3-5-10(13)12(16)15-9-6-7-11(14-8-9)17-4-2/h6-8,10H,3-5,13H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyKJCSNVZIPSLCFB-JTQLQIEISA-N
XLogP1.55
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(6-ethoxy-3-pyridinyl)-3,3-dimethylbutanamide
CID 113353541
(2S)-2-amino-N-(6-methoxy-3-pyridinyl)butanamide
CID 79025042
5-amino-N-(6-ethoxy-3-pyridinyl)hexanamide
CID 82852458
(2R)-2-amino-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide
CID 104906808
(2R)-N-(4-acetamidophenyl)-2-aminopentanamide
CID 113263757
(2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)pentanamide
CID 93268119
4-amino-N-(6-ethoxy-3-pyridinyl)-3-methylbutanamide
CID 81080925
2-amino-N-(2-phenylpyrimidin-5-yl)pentanamide
CID 43709270
(2S)-2-amino-N-[4-(propanoylamino)phenyl]pentanamide
CID 107568598
(2R)-2-amino-N-(4-chlorophenyl)pentanamide
CID 93255469
(2R)-2-amino-N-(4-bromophenyl)pentanamide
CID 103793741
1-cyclopropyl-3-(6-ethoxy-3-pyridinyl)urea
CID 115687753

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(6-ethoxy-3-pyridinyl)pentanamide?
The IUPAC name of (2S)-2-amino-N-(6-ethoxy-3-pyridinyl)pentanamide (CID 107570145) is (2S)-2-amino-N-(6-ethoxy-3-pyridinyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-(6-ethoxy-3-pyridinyl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-(6-ethoxy-3-pyridinyl)pentanamide is CCC[C@H](N)C(=O)Nc1ccc(OCC)nc1.
What is the InChIKey of (2S)-2-amino-N-(6-ethoxy-3-pyridinyl)pentanamide?
The InChIKey is KJCSNVZIPSLCFB-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-5-10(13)12(16)15-9-6-7-11(14-8-9)17-4-2/h6-8,10H,3-5,13H2,1-2H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(6-ethoxy-3-pyridinyl)pentanamide?
(2S)-2-amino-N-(6-ethoxy-3-pyridinyl)pentanamide has a molecular weight of 237.30 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(6-ethoxy-3-pyridinyl)pentanamide is sourced from PubChem (CID 107570145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).