2-ethyl-N-[6-(2-hydroxyethylamino)-3-pyridinyl]butanamide

C13H21N3O2 — CID 28903437

IUPAC2-ethyl-N-[6-(2-hydroxyethylamino)-3-pyridinyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(NCCO)nc1
InChIInChI=1S/C13H21N3O2/c1-3-10(4-2)13(18)16-11-5-6-12(15-9-11)14-7-8-17/h5-6,9-10,17H,3-4,7-8H2,1-2H3,(H,14,15)(H,16,18)
InChIKeySNHJGKXVTVCPOE-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.86
Rot. Bonds7

About 2-ethyl-N-[6-(2-hydroxyethylamino)-3-pyridinyl]butanamide

2-ethyl-N-[6-(2-hydroxyethylamino)-3-pyridinyl]butanamide (PubChem CID 28903437) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-ethyl-N-[6-(2-hydroxyethylamino)-3-pyridinyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[6-(2-hydroxyethylamino)-3-pyridinyl]butanamide
PubChem CID28903437
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-ethyl-N-[6-(2-hydroxyethylamino)-3-pyridinyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(NCCO)nc1
InChIInChI=1S/C13H21N3O2/c1-3-10(4-2)13(18)16-11-5-6-12(15-9-11)14-7-8-17/h5-6,9-10,17H,3-4,7-8H2,1-2H3,(H,14,15)(H,16,18)
InChIKeySNHJGKXVTVCPOE-UHFFFAOYSA-N
XLogP1.86
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-[6-(propylamino)-3-pyridinyl]butanamide
CID 113009034
2-ethyl-N-[6-(methylamino)-3-pyridinyl]butanamide
CID 115268467
2-ethyl-N-[6-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]butanamide
CID 113013197
N-[6-(2-hydroxyethylamino)-3-pyridinyl]butanamide
CID 28903424
N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-ethylbutanamide
CID 113010230
2-ethyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]butanamide
CID 113012657
2-ethyl-N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]butanamide
CID 113012347
N-[6-[4-(dimethylamino)anilino]-3-pyridinyl]-2-ethylbutanamide
CID 113020858
N-[6-(2-tert-butylanilino)-3-pyridinyl]-2-ethylbutanamide
CID 113018058
2-ethyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]butanamide
CID 113019893
2-ethyl-N-[6-(3-methylanilino)-3-pyridinyl]butanamide
CID 113016204
2-ethyl-N-[6-(3-fluoroanilino)-3-pyridinyl]butanamide
CID 113021263

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[6-(2-hydroxyethylamino)-3-pyridinyl]butanamide?
The IUPAC name of 2-ethyl-N-[6-(2-hydroxyethylamino)-3-pyridinyl]butanamide (CID 28903437) is 2-ethyl-N-[6-(2-hydroxyethylamino)-3-pyridinyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[6-(2-hydroxyethylamino)-3-pyridinyl]butanamide?
The canonical SMILES for 2-ethyl-N-[6-(2-hydroxyethylamino)-3-pyridinyl]butanamide is CCC(CC)C(=O)Nc1ccc(NCCO)nc1.
What is the InChIKey of 2-ethyl-N-[6-(2-hydroxyethylamino)-3-pyridinyl]butanamide?
The InChIKey is SNHJGKXVTVCPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-10(4-2)13(18)16-11-5-6-12(15-9-11)14-7-8-17/h5-6,9-10,17H,3-4,7-8H2,1-2H3,(H,14,15)(H,16,18).
What are the key properties of 2-ethyl-N-[6-(2-hydroxyethylamino)-3-pyridinyl]butanamide?
2-ethyl-N-[6-(2-hydroxyethylamino)-3-pyridinyl]butanamide has a molecular weight of 251.33 g/mol, XLogP of 1.86, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[6-(2-hydroxyethylamino)-3-pyridinyl]butanamide is sourced from PubChem (CID 28903437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).