N-(2-aminoethyl)-6-(4-oxo-1-pyridinyl)hexanamide

C13H21N3O2 — CID 82030542

IUPACN-(2-aminoethyl)-6-(4-oxo-1-pyridinyl)hexanamide
SMILESNCCNC(=O)CCCCCn1ccc(=O)cc1
InChIInChI=1S/C13H21N3O2/c14-7-8-15-13(18)4-2-1-3-9-16-10-5-12(17)6-11-16/h5-6,10-11H,1-4,7-9,14H2,(H,15,18)
InChIKeyNGNZCMNCMNHBJA-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.48
Rot. Bonds8

About N-(2-aminoethyl)-6-(4-oxo-1-pyridinyl)hexanamide

N-(2-aminoethyl)-6-(4-oxo-1-pyridinyl)hexanamide (PubChem CID 82030542) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(2-aminoethyl)-6-(4-oxo-1-pyridinyl)hexanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-6-(4-oxo-1-pyridinyl)hexanamide
PubChem CID82030542
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(2-aminoethyl)-6-(4-oxo-1-pyridinyl)hexanamide
SMILESNCCNC(=O)CCCCCn1ccc(=O)cc1
InChIInChI=1S/C13H21N3O2/c14-7-8-15-13(18)4-2-1-3-9-16-10-5-12(17)6-11-16/h5-6,10-11H,1-4,7-9,14H2,(H,15,18)
InChIKeyNGNZCMNCMNHBJA-UHFFFAOYSA-N
XLogP0.48
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-4-(2-oxo-1-pyridinyl)butanamide
CID 82031758
N-(2-aminoethyl)nonanamide
CID 13028008
7-amino-N-(3-imidazol-1-ylpropyl)heptanamide
CID 28994147
N-(2-aminoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 51341002
1-(3-fluoropropyl)pyridin-4-one
CID 116622406
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
6-(9H-acridin-10-yl)-N-(5-aminopentyl)hexanamide
CID 66643410
6-amino-N-[2-(N-methylanilino)ethyl]hexanamide
CID 61260836
N-(2-aminoethyl)-7-methyloctanamide
CID 145373236
acetic acid;N-(2-aminoethyl)octanamide
CID 161257212
N-butyl-2-(4-oxo-1-pyridinyl)acetamide
CID 116622191

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-6-(4-oxo-1-pyridinyl)hexanamide?
The IUPAC name of N-(2-aminoethyl)-6-(4-oxo-1-pyridinyl)hexanamide (CID 82030542) is N-(2-aminoethyl)-6-(4-oxo-1-pyridinyl)hexanamide.
What is the SMILES notation for N-(2-aminoethyl)-6-(4-oxo-1-pyridinyl)hexanamide?
The canonical SMILES for N-(2-aminoethyl)-6-(4-oxo-1-pyridinyl)hexanamide is NCCNC(=O)CCCCCn1ccc(=O)cc1.
What is the InChIKey of N-(2-aminoethyl)-6-(4-oxo-1-pyridinyl)hexanamide?
The InChIKey is NGNZCMNCMNHBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c14-7-8-15-13(18)4-2-1-3-9-16-10-5-12(17)6-11-16/h5-6,10-11H,1-4,7-9,14H2,(H,15,18).
What are the key properties of N-(2-aminoethyl)-6-(4-oxo-1-pyridinyl)hexanamide?
N-(2-aminoethyl)-6-(4-oxo-1-pyridinyl)hexanamide has a molecular weight of 251.33 g/mol, XLogP of 0.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-6-(4-oxo-1-pyridinyl)hexanamide is sourced from PubChem (CID 82030542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).