(2S)-2-amino-N-(2-ethoxy-3-pyridinyl)-4-methylpentanamide

C13H21N3O2 — CID 61178380

IUPAC(2S)-2-amino-N-(2-ethoxy-3-pyridinyl)-4-methylpentanamide
SMILESCCOc1ncccc1NC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C13H21N3O2/c1-4-18-13-11(6-5-7-15-13)16-12(17)10(14)8-9(2)3/h5-7,9-10H,4,8,14H2,1-3H3,(H,16,17)/t10-/m0/s1
InChIKeySYTKXXDBLPOLCM-JTQLQIEISA-N
MW251.33 g/mol
LogP1.79
Rot. Bonds6

About (2S)-2-amino-N-(2-ethoxy-3-pyridinyl)-4-methylpentanamide

(2S)-2-amino-N-(2-ethoxy-3-pyridinyl)-4-methylpentanamide (PubChem CID 61178380) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-ethoxy-3-pyridinyl)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-ethoxy-3-pyridinyl)-4-methylpentanamide
PubChem CID61178380
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(2S)-2-amino-N-(2-ethoxy-3-pyridinyl)-4-methylpentanamide
SMILESCCOc1ncccc1NC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C13H21N3O2/c1-4-18-13-11(6-5-7-15-13)16-12(17)10(14)8-9(2)3/h5-7,9-10H,4,8,14H2,1-3H3,(H,16,17)/t10-/m0/s1
InChIKeySYTKXXDBLPOLCM-JTQLQIEISA-N
XLogP1.79
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-ethoxy-3-pyridinyl)-4-methylpentanamide
CID 43706630
(2R)-2-amino-4-methyl-N-(2-methyl-3-pyridinyl)pentanamide
CID 104903679
2-amino-N-(2-ethoxy-3-pyridinyl)-2-phenylacetamide
CID 43706621
N-(2-ethoxy-3-pyridinyl)-2-methyl-3-(methylamino)propanamide
CID 79196186
N-(2-ethoxy-3-pyridinyl)-2-pyrazol-1-ylpropanamide
CID 47177158
2-amino-4-methyl-N-(2-propan-2-ylphenyl)pentanamide
CID 24703772
ethyl 2-[(2-amino-4-methylpentanoyl)amino]benzoate
CID 61273586
2-amino-4-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 43714222
2-amino-N-(2-ethoxy-3-pyridinyl)-2-ethylbutanamide
CID 79809690
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide
CID 22691032
2-[2-(aminomethyl)phenyl]-N-(2-ethoxy-3-pyridinyl)acetamide
CID 81311348
2-amino-N-(5-chloro-2-ethoxyphenyl)-4-methylpentanamide
CID 54862650

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-ethoxy-3-pyridinyl)-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(2-ethoxy-3-pyridinyl)-4-methylpentanamide (CID 61178380) is (2S)-2-amino-N-(2-ethoxy-3-pyridinyl)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-ethoxy-3-pyridinyl)-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(2-ethoxy-3-pyridinyl)-4-methylpentanamide is CCOc1ncccc1NC(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-N-(2-ethoxy-3-pyridinyl)-4-methylpentanamide?
The InChIKey is SYTKXXDBLPOLCM-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-18-13-11(6-5-7-15-13)16-12(17)10(14)8-9(2)3/h5-7,9-10H,4,8,14H2,1-3H3,(H,16,17)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-ethoxy-3-pyridinyl)-4-methylpentanamide?
(2S)-2-amino-N-(2-ethoxy-3-pyridinyl)-4-methylpentanamide has a molecular weight of 251.33 g/mol, XLogP of 1.79, 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-(2-ethoxy-3-pyridinyl)-4-methylpentanamide is sourced from PubChem (CID 61178380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).