8-amino-N-[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]octanamide

C20H24N8O — CID 169281528

IUPAC8-amino-N-[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]octanamide
SMILESNCCCCCCCC(=O)Nc1ccc(-c2nnc(-c3ccccn3)nn2)nc1
InChIInChI=1S/C20H24N8O/c21-12-6-3-1-2-4-9-18(29)24-15-10-11-17(23-14-15)20-27-25-19(26-28-20)16-8-5-7-13-22-16/h5,7-8,10-11,13-14H,1-4,6,9,12,21H2,(H,24,29)
InChIKeyFAKRLDMPKJPPAJ-UHFFFAOYSA-N
MW392.47 g/mol
LogP2.63
Rot. Bonds10

About 8-amino-N-[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]octanamide

8-amino-N-[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]octanamide (PubChem CID 169281528) has the molecular formula C20H24N8O and a molecular weight of 392.47 g/mol. Its IUPAC name is 8-amino-N-[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]octanamide.

Molecular Properties

Compound Name8-amino-N-[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]octanamide
PubChem CID169281528
Molecular FormulaC20H24N8O
Molecular Weight392.47 g/mol
Exact Mass392.21
IUPAC Name8-amino-N-[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]octanamide
SMILESNCCCCCCCC(=O)Nc1ccc(-c2nnc(-c3ccccn3)nn2)nc1
InChIInChI=1S/C20H24N8O/c21-12-6-3-1-2-4-9-18(29)24-15-10-11-17(23-14-15)20-27-25-19(26-28-20)16-8-5-7-13-22-16/h5,7-8,10-11,13-14H,1-4,6,9,12,21H2,(H,24,29)
InChIKeyFAKRLDMPKJPPAJ-UHFFFAOYSA-N
XLogP2.63
TPSA132.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 8-amino-N-[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]octanamide with MolForge

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Related Compounds

[6-oxo-6-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]hexyl]carbamic acid
CID 71015587
tert-butyl N-[6-oxo-6-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]hexyl]carbamate
CID 70983473
N-[6-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]butanamide
CID 70982624
7-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)heptanamide
CID 119855706
N-[6-[6-[5-(propanoylamino)-2-pyridinyl]-1,2,4,5-tetrazin-3-yl]-3-pyridinyl]propanamide
CID 160672212
4-(6-aminohexanoylamino)benzamide
CID 24702559
6-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 43711108
6-amino-N-[4-(pyridin-2-ylsulfamoyl)phenyl]hexanamide
CID 134363098
acetaldehyde;5-oxo-5-[[6-(6-pyridin-2-yl-1,4-dihydro-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]pentanoic acid
CID 145336135
7-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]heptanamide;hydrochloride
CID 119709277
7-amino-N-(4-anilinophenyl)heptanamide
CID 119676142
tert-butyl N-[6-oxo-6-[[6-(6-pyridin-2-yl-1,4-dihydro-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]hexyl]carbamate
CID 70983411

Frequently Asked Questions

What is the IUPAC name of 8-amino-N-[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]octanamide?
The IUPAC name of 8-amino-N-[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]octanamide (CID 169281528) is 8-amino-N-[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]octanamide.
What is the SMILES notation for 8-amino-N-[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]octanamide?
The canonical SMILES for 8-amino-N-[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]octanamide is NCCCCCCCC(=O)Nc1ccc(-c2nnc(-c3ccccn3)nn2)nc1.
What is the InChIKey of 8-amino-N-[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]octanamide?
The InChIKey is FAKRLDMPKJPPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O/c21-12-6-3-1-2-4-9-18(29)24-15-10-11-17(23-14-15)20-27-25-19(26-28-20)16-8-5-7-13-22-16/h5,7-8,10-11,13-14H,1-4,6,9,12,21H2,(H,24,29).
What are the key properties of 8-amino-N-[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]octanamide?
8-amino-N-[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]octanamide has a molecular weight of 392.47 g/mol, XLogP of 2.63, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-N-[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]octanamide is sourced from PubChem (CID 169281528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).