bis(ethane-1,1-diamine);6-(6-oxo-1H-pyridin-2-yl)-1H-pyridin-2-one

C14H24N6O2 — CID 162039075

IUPACbis(ethane-1,1-diamine);6-(6-oxo-1H-pyridin-2-yl)-1H-pyridin-2-one
SMILESCC(N)N.CC(N)N.O=c1cccc(-c2cccc(=O)[nH]2)[nH]1
InChIInChI=1S/C10H8N2O2.2C2H8N2/c13-9-5-1-3-7(11-9)8-4-2-6-10(14)12-8;2*1-2(3)4/h1-6H,(H,11,13)(H,12,14);2*2H,3-4H2,1H3
InChIKeyYXAJNUNHDQQDRQ-UHFFFAOYSA-N
MW308.39 g/mol
LogP-0.77
Rot. Bonds1

About bis(ethane-1,1-diamine);6-(6-oxo-1H-pyridin-2-yl)-1H-pyridin-2-one

bis(ethane-1,1-diamine);6-(6-oxo-1H-pyridin-2-yl)-1H-pyridin-2-one (PubChem CID 162039075) has the molecular formula C14H24N6O2 and a molecular weight of 308.39 g/mol. Its IUPAC name is bis(ethane-1,1-diamine);6-(6-oxo-1H-pyridin-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Namebis(ethane-1,1-diamine);6-(6-oxo-1H-pyridin-2-yl)-1H-pyridin-2-one
PubChem CID162039075
Molecular FormulaC14H24N6O2
Molecular Weight308.39 g/mol
Exact Mass308.20
IUPAC Namebis(ethane-1,1-diamine);6-(6-oxo-1H-pyridin-2-yl)-1H-pyridin-2-one
SMILESCC(N)N.CC(N)N.O=c1cccc(-c2cccc(=O)[nH]2)[nH]1
InChIInChI=1S/C10H8N2O2.2C2H8N2/c13-9-5-1-3-7(11-9)8-4-2-6-10(14)12-8;2*1-2(3)4/h1-6H,(H,11,13)(H,12,14);2*2H,3-4H2,1H3
InChIKeyYXAJNUNHDQQDRQ-UHFFFAOYSA-N
XLogP-0.77
TPSA169.80 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.39
LogP ≤ 5-0.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(ethane-1,1-diamine);6-(6-oxo-1H-pyridin-2-yl)-1H-pyridin-2-one?
The IUPAC name of bis(ethane-1,1-diamine);6-(6-oxo-1H-pyridin-2-yl)-1H-pyridin-2-one (CID 162039075) is bis(ethane-1,1-diamine);6-(6-oxo-1H-pyridin-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for bis(ethane-1,1-diamine);6-(6-oxo-1H-pyridin-2-yl)-1H-pyridin-2-one?
The canonical SMILES for bis(ethane-1,1-diamine);6-(6-oxo-1H-pyridin-2-yl)-1H-pyridin-2-one is CC(N)N.CC(N)N.O=c1cccc(-c2cccc(=O)[nH]2)[nH]1.
What is the InChIKey of bis(ethane-1,1-diamine);6-(6-oxo-1H-pyridin-2-yl)-1H-pyridin-2-one?
The InChIKey is YXAJNUNHDQQDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2.2C2H8N2/c13-9-5-1-3-7(11-9)8-4-2-6-10(14)12-8;2*1-2(3)4/h1-6H,(H,11,13)(H,12,14);2*2H,3-4H2,1H3.
What are the key properties of bis(ethane-1,1-diamine);6-(6-oxo-1H-pyridin-2-yl)-1H-pyridin-2-one?
bis(ethane-1,1-diamine);6-(6-oxo-1H-pyridin-2-yl)-1H-pyridin-2-one has a molecular weight of 308.39 g/mol, XLogP of -0.77, 1 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethane-1,1-diamine);6-(6-oxo-1H-pyridin-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 162039075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).