4-amino-3-ethoxy-N-[(1S)-1-pyridin-3-ylethyl]butanamide

C13H21N3O2 — CID 114227526

IUPAC4-amino-3-ethoxy-N-[(1S)-1-pyridin-3-ylethyl]butanamide
SMILESCCOC(CN)CC(=O)N[C@@H](C)c1cccnc1
InChIInChI=1S/C13H21N3O2/c1-3-18-12(8-14)7-13(17)16-10(2)11-5-4-6-15-9-11/h4-6,9-10,12H,3,7-8,14H2,1-2H3,(H,16,17)/t10-,12?/m0/s1
InChIKeyBWJJXCXWZNBFEL-NUHJPDEHSA-N
MW251.33 g/mol
LogP1.01
Rot. Bonds7

About 4-amino-3-ethoxy-N-[(1S)-1-pyridin-3-ylethyl]butanamide

4-amino-3-ethoxy-N-[(1S)-1-pyridin-3-ylethyl]butanamide (PubChem CID 114227526) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-amino-3-ethoxy-N-[(1S)-1-pyridin-3-ylethyl]butanamide.

Molecular Properties

Compound Name4-amino-3-ethoxy-N-[(1S)-1-pyridin-3-ylethyl]butanamide
PubChem CID114227526
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-amino-3-ethoxy-N-[(1S)-1-pyridin-3-ylethyl]butanamide
SMILESCCOC(CN)CC(=O)N[C@@H](C)c1cccnc1
InChIInChI=1S/C13H21N3O2/c1-3-18-12(8-14)7-13(17)16-10(2)11-5-4-6-15-9-11/h4-6,9-10,12H,3,7-8,14H2,1-2H3,(H,16,17)/t10-,12?/m0/s1
InChIKeyBWJJXCXWZNBFEL-NUHJPDEHSA-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

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Related Compounds

4-amino-3-methyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide
CID 81404984
ethyl 2,2-dimethyl-4-oxo-4-[[(1R)-1-pyridin-3-ylethyl]amino]butanoate
CID 124737622
2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]butanamide
CID 81405062
6-amino-N-(1-pyridin-3-ylethyl)hexanamide
CID 43523747
2-(butan-2-ylamino)-N-(1-pyridin-3-ylethyl)acetamide
CID 60854286
2-(butan-2-ylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81404467
7-amino-N-(1-pyridin-3-ylethyl)heptanamide;hydrochloride
CID 119998836
N-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide
CID 107022769
2-amino-3-methyl-N-[(1S)-1-pyridin-3-ylethyl]pentanamide
CID 81405246
2-[2-oxo-2-(1-pyridin-3-ylethylamino)ethoxy]acetic acid
CID 61328794
methyl N-[(1R)-1-pyridin-3-ylethyl]carbamate
CID 130621848
2-cyano-N-(1-pyridin-3-ylethyl)acetamide
CID 43523765

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethoxy-N-[(1S)-1-pyridin-3-ylethyl]butanamide?
The IUPAC name of 4-amino-3-ethoxy-N-[(1S)-1-pyridin-3-ylethyl]butanamide (CID 114227526) is 4-amino-3-ethoxy-N-[(1S)-1-pyridin-3-ylethyl]butanamide.
What is the SMILES notation for 4-amino-3-ethoxy-N-[(1S)-1-pyridin-3-ylethyl]butanamide?
The canonical SMILES for 4-amino-3-ethoxy-N-[(1S)-1-pyridin-3-ylethyl]butanamide is CCOC(CN)CC(=O)N[C@@H](C)c1cccnc1.
What is the InChIKey of 4-amino-3-ethoxy-N-[(1S)-1-pyridin-3-ylethyl]butanamide?
The InChIKey is BWJJXCXWZNBFEL-NUHJPDEHSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-18-12(8-14)7-13(17)16-10(2)11-5-4-6-15-9-11/h4-6,9-10,12H,3,7-8,14H2,1-2H3,(H,16,17)/t10-,12?/m0/s1.
What are the key properties of 4-amino-3-ethoxy-N-[(1S)-1-pyridin-3-ylethyl]butanamide?
4-amino-3-ethoxy-N-[(1S)-1-pyridin-3-ylethyl]butanamide 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 4-amino-3-ethoxy-N-[(1S)-1-pyridin-3-ylethyl]butanamide is sourced from PubChem (CID 114227526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).