[6-oxo-6-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]hexyl]carbamic acid

C19H20N8O3 — CID 71015587

IUPAC[6-oxo-6-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]hexyl]carbamic acid
SMILESO=C(O)NCCCCCC(=O)Nc1ccc(-c2nnc(-c3ccccn3)nn2)nc1
InChIInChI=1S/C19H20N8O3/c28-16(7-2-1-4-11-21-19(29)30)23-13-8-9-15(22-12-13)18-26-24-17(25-27-18)14-6-3-5-10-20-14/h3,5-6,8-10,12,21H,1-2,4,7,11H2,(H,23,28)(H,29,30)
InChIKeyUBHWUIXYPBOTLN-UHFFFAOYSA-N
MW408.42 g/mol
LogP2.16
Rot. Bonds9

About [6-oxo-6-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]hexyl]carbamic acid

[6-oxo-6-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]hexyl]carbamic acid (PubChem CID 71015587) has the molecular formula C19H20N8O3 and a molecular weight of 408.42 g/mol. Its IUPAC name is [6-oxo-6-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]hexyl]carbamic acid.

Molecular Properties

Compound Name[6-oxo-6-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]hexyl]carbamic acid
PubChem CID71015587
Molecular FormulaC19H20N8O3
Molecular Weight408.42 g/mol
Exact Mass408.17
IUPAC Name[6-oxo-6-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]hexyl]carbamic acid
SMILESO=C(O)NCCCCCC(=O)Nc1ccc(-c2nnc(-c3ccccn3)nn2)nc1
InChIInChI=1S/C19H20N8O3/c28-16(7-2-1-4-11-21-19(29)30)23-13-8-9-15(22-12-13)18-26-24-17(25-27-18)14-6-3-5-10-20-14/h3,5-6,8-10,12,21H,1-2,4,7,11H2,(H,23,28)(H,29,30)
InChIKeyUBHWUIXYPBOTLN-UHFFFAOYSA-N
XLogP2.16
TPSA155.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [6-oxo-6-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]hexyl]carbamic acid with MolForge

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Launch Full Analysis

Related Compounds

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
8-amino-N-[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]octanamide
CID 169281528
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
N-[6-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]butanamide
CID 70982624
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
5-oxo-2-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]pentanoic acid
CID 141428671
N-[6-[6-[5-(propanoylamino)-2-pyridinyl]-1,2,4,5-tetrazin-3-yl]-3-pyridinyl]propanamide
CID 160672212
(5-oxo-5-pyridin-2-ylpentyl)carbamic acid
CID 68759301
N-[4-oxo-4-(pyridin-3-ylamino)butyl]benzamide
CID 39761141
N-(11-hydroxyundecyl)-6-pyridin-2-ylpyridine-3-carboxamide
CID 10361759
N-pyridin-2-yl-6-[(2-sulfanylacetyl)amino]hexanamide
CID 11716112
N-(6-anilino-6-oxohexyl)-2-sulfanylbenzamide;N-[6-oxo-6-(pyridin-3-ylamino)hexyl]-2-sulfanylbenzamide
CID 144697898

Frequently Asked Questions

What is the IUPAC name of [6-oxo-6-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]hexyl]carbamic acid?
The IUPAC name of [6-oxo-6-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]hexyl]carbamic acid (CID 71015587) is [6-oxo-6-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]hexyl]carbamic acid.
What is the SMILES notation for [6-oxo-6-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]hexyl]carbamic acid?
The canonical SMILES for [6-oxo-6-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]hexyl]carbamic acid is O=C(O)NCCCCCC(=O)Nc1ccc(-c2nnc(-c3ccccn3)nn2)nc1.
What is the InChIKey of [6-oxo-6-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]hexyl]carbamic acid?
The InChIKey is UBHWUIXYPBOTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O3/c28-16(7-2-1-4-11-21-19(29)30)23-13-8-9-15(22-12-13)18-26-24-17(25-27-18)14-6-3-5-10-20-14/h3,5-6,8-10,12,21H,1-2,4,7,11H2,(H,23,28)(H,29,30).
What are the key properties of [6-oxo-6-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]hexyl]carbamic acid?
[6-oxo-6-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]hexyl]carbamic acid has a molecular weight of 408.42 g/mol, XLogP of 2.16, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-oxo-6-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]hexyl]carbamic acid is sourced from PubChem (CID 71015587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).