N-[6-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]butanamide

C15H14N8O — CID 70982624

IUPACN-[6-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(-c2nnc(-c3ncccn3)nn2)nc1
InChIInChI=1S/C15H14N8O/c1-2-4-12(24)19-10-5-6-11(18-9-10)13-20-22-15(23-21-13)14-16-7-3-8-17-14/h3,5-9H,2,4H2,1H3,(H,19,24)
InChIKeyJHDBLDFIWACYHF-UHFFFAOYSA-N
MW322.33 g/mol
LogP1.52
Rot. Bonds5

About N-[6-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]butanamide

N-[6-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]butanamide (PubChem CID 70982624) has the molecular formula C15H14N8O and a molecular weight of 322.33 g/mol. Its IUPAC name is N-[6-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]butanamide.

Molecular Properties

Compound NameN-[6-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]butanamide
PubChem CID70982624
Molecular FormulaC15H14N8O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC NameN-[6-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(-c2nnc(-c3ncccn3)nn2)nc1
InChIInChI=1S/C15H14N8O/c1-2-4-12(24)19-10-5-6-11(18-9-10)13-20-22-15(23-21-13)14-16-7-3-8-17-14/h3,5-9H,2,4H2,1H3,(H,19,24)
InChIKeyJHDBLDFIWACYHF-UHFFFAOYSA-N
XLogP1.52
TPSA119.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]butanamide?
The IUPAC name of N-[6-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]butanamide (CID 70982624) is N-[6-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]butanamide.
What is the SMILES notation for N-[6-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]butanamide?
The canonical SMILES for N-[6-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]butanamide is CCCC(=O)Nc1ccc(-c2nnc(-c3ncccn3)nn2)nc1.
What is the InChIKey of N-[6-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]butanamide?
The InChIKey is JHDBLDFIWACYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N8O/c1-2-4-12(24)19-10-5-6-11(18-9-10)13-20-22-15(23-21-13)14-16-7-3-8-17-14/h3,5-9H,2,4H2,1H3,(H,19,24).
What are the key properties of N-[6-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]butanamide?
N-[6-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]butanamide has a molecular weight of 322.33 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]butanamide is sourced from PubChem (CID 70982624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).