5-amino-N-(6-ethoxy-3-pyridinyl)hexanamide

C13H21N3O2 — CID 82852458

IUPAC5-amino-N-(6-ethoxy-3-pyridinyl)hexanamide
SMILESCCOc1ccc(NC(=O)CCCC(C)N)cn1
InChIInChI=1S/C13H21N3O2/c1-3-18-13-8-7-11(9-15-13)16-12(17)6-4-5-10(2)14/h7-10H,3-6,14H2,1-2H3,(H,16,17)
InChIKeyINVNMMIOHSYBKI-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.94
Rot. Bonds7

About 5-amino-N-(6-ethoxy-3-pyridinyl)hexanamide

5-amino-N-(6-ethoxy-3-pyridinyl)hexanamide (PubChem CID 82852458) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-amino-N-(6-ethoxy-3-pyridinyl)hexanamide.

Molecular Properties

Compound Name5-amino-N-(6-ethoxy-3-pyridinyl)hexanamide
PubChem CID82852458
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-amino-N-(6-ethoxy-3-pyridinyl)hexanamide
SMILESCCOc1ccc(NC(=O)CCCC(C)N)cn1
InChIInChI=1S/C13H21N3O2/c1-3-18-13-8-7-11(9-15-13)16-12(17)6-4-5-10(2)14/h7-10H,3-6,14H2,1-2H3,(H,16,17)
InChIKeyINVNMMIOHSYBKI-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(6-ethoxy-3-pyridinyl)-3-methylbutanamide
CID 81080925
5-amino-N-(4-fluorophenyl)hexanamide
CID 82848209
(2S)-2-amino-N-(6-ethoxy-3-pyridinyl)pentanamide
CID 107570145
5-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 82848160
(2R)-2-amino-N-(6-ethoxy-3-pyridinyl)-3,3-dimethylbutanamide
CID 113353541
5-amino-N-(4-bromophenyl)hexanamide
CID 82848125
N-(4-acetylphenyl)-5-aminohexanamide
CID 82852023
4-(5-aminohexanoylamino)-N-propan-2-ylbenzamide
CID 82849341
6-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]hexanamide
CID 43704143
5-amino-N-(3,4-difluorophenyl)hexanamide
CID 82848790
5-amino-N-[4-(trifluoromethoxy)phenyl]hexanamide
CID 82848288
5-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pentanamide
CID 43697910

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(6-ethoxy-3-pyridinyl)hexanamide?
The IUPAC name of 5-amino-N-(6-ethoxy-3-pyridinyl)hexanamide (CID 82852458) is 5-amino-N-(6-ethoxy-3-pyridinyl)hexanamide.
What is the SMILES notation for 5-amino-N-(6-ethoxy-3-pyridinyl)hexanamide?
The canonical SMILES for 5-amino-N-(6-ethoxy-3-pyridinyl)hexanamide is CCOc1ccc(NC(=O)CCCC(C)N)cn1.
What is the InChIKey of 5-amino-N-(6-ethoxy-3-pyridinyl)hexanamide?
The InChIKey is INVNMMIOHSYBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-18-13-8-7-11(9-15-13)16-12(17)6-4-5-10(2)14/h7-10H,3-6,14H2,1-2H3,(H,16,17).
What are the key properties of 5-amino-N-(6-ethoxy-3-pyridinyl)hexanamide?
5-amino-N-(6-ethoxy-3-pyridinyl)hexanamide has a molecular weight of 251.33 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(6-ethoxy-3-pyridinyl)hexanamide is sourced from PubChem (CID 82852458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).