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

C17H15N7O3 — CID 141428671

IUPAC5-oxo-2-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]pentanoic acid
SMILESO=CCCC(Nc1ccc(-c2nnc(-c3ccccn3)nn2)nc1)C(=O)O
InChIInChI=1S/C17H15N7O3/c25-9-3-5-14(17(26)27)20-11-6-7-13(19-10-11)16-23-21-15(22-24-16)12-4-1-2-8-18-12/h1-2,4,6-10,14,20H,3,5H2,(H,26,27)
InChIKeyYGVXHHJSLANGCM-UHFFFAOYSA-N
MW365.35 g/mol
LogP1.23
Rot. Bonds8

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

5-oxo-2-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]pentanoic acid (PubChem CID 141428671) has the molecular formula C17H15N7O3 and a molecular weight of 365.35 g/mol. Its IUPAC name is 5-oxo-2-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-oxo-2-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]pentanoic acid
PubChem CID141428671
Molecular FormulaC17H15N7O3
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC Name5-oxo-2-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]pentanoic acid
SMILESO=CCCC(Nc1ccc(-c2nnc(-c3ccccn3)nn2)nc1)C(=O)O
InChIInChI=1S/C17H15N7O3/c25-9-3-5-14(17(26)27)20-11-6-7-13(19-10-11)16-23-21-15(22-24-16)12-4-1-2-8-18-12/h1-2,4,6-10,14,20H,3,5H2,(H,26,27)
InChIKeyYGVXHHJSLANGCM-UHFFFAOYSA-N
XLogP1.23
TPSA143.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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

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Related Compounds

8-amino-N-[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]octanamide
CID 169281528
[6-oxo-6-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]hexyl]carbamic acid
CID 71015587
2-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]methylamino]acetic acid
CID 165114141
2-(naphthalen-1-ylamino)-5-oxopentanoic acid
CID 144900883
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
(2S)-2-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]hexanoic acid
CID 122062861
(2S)-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]hexanoic acid
CID 122062814
bis(2-benzamido-3-phenylpropanoic acid);bis(platinum(4+));bis(2-pyridin-2-ylpyridine);nonahydrate
CID 51041539
2-anilino-4-oxobutanoic acid
CID 154361840
2-benzamido-4-methylpentanoic acid;platinum(4+);2-pyridin-2-ylpyridine;hydrate
CID 51041763
N-[6-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]butanamide
CID 70982624
2-anilino-N-methyl-5-oxopentanamide;ethylphosphane
CID 170749132

Frequently Asked Questions

What is the IUPAC name of 5-oxo-2-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]pentanoic acid?
The IUPAC name of 5-oxo-2-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]pentanoic acid (CID 141428671) is 5-oxo-2-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]pentanoic acid.
What is the SMILES notation for 5-oxo-2-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]pentanoic acid?
The canonical SMILES for 5-oxo-2-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]pentanoic acid is O=CCCC(Nc1ccc(-c2nnc(-c3ccccn3)nn2)nc1)C(=O)O.
What is the InChIKey of 5-oxo-2-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]pentanoic acid?
The InChIKey is YGVXHHJSLANGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O3/c25-9-3-5-14(17(26)27)20-11-6-7-13(19-10-11)16-23-21-15(22-24-16)12-4-1-2-8-18-12/h1-2,4,6-10,14,20H,3,5H2,(H,26,27).
What are the key properties of 5-oxo-2-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]pentanoic acid?
5-oxo-2-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]pentanoic acid has a molecular weight of 365.35 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-2-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]pentanoic acid is sourced from PubChem (CID 141428671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).