6-[[bis[(6-oxo-1H-pyridin-2-yl)methyl]amino]methyl]-1H-pyridin-2-one

C18H18N4O3 — CID 102133151

IUPAC6-[[bis[(6-oxo-1H-pyridin-2-yl)methyl]amino]methyl]-1H-pyridin-2-one
SMILESO=c1cccc(CN(Cc2cccc(=O)[nH]2)Cc2cccc(=O)[nH]2)[nH]1
InChIInChI=1S/C18H18N4O3/c23-16-7-1-4-13(19-16)10-22(11-14-5-2-8-17(24)20-14)12-15-6-3-9-18(25)21-15/h1-9H,10-12H2,(H,19,23)(H,20,24)(H,21,25)
InChIKeyRZPYBYXKZAVINP-UHFFFAOYSA-N
MW338.37 g/mol
LogP0.95
Rot. Bonds6

About 6-[[bis[(6-oxo-1H-pyridin-2-yl)methyl]amino]methyl]-1H-pyridin-2-one

6-[[bis[(6-oxo-1H-pyridin-2-yl)methyl]amino]methyl]-1H-pyridin-2-one (PubChem CID 102133151) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 6-[[bis[(6-oxo-1H-pyridin-2-yl)methyl]amino]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[[bis[(6-oxo-1H-pyridin-2-yl)methyl]amino]methyl]-1H-pyridin-2-one
PubChem CID102133151
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name6-[[bis[(6-oxo-1H-pyridin-2-yl)methyl]amino]methyl]-1H-pyridin-2-one
SMILESO=c1cccc(CN(Cc2cccc(=O)[nH]2)Cc2cccc(=O)[nH]2)[nH]1
InChIInChI=1S/C18H18N4O3/c23-16-7-1-4-13(19-16)10-22(11-14-5-2-8-17(24)20-14)12-15-6-3-9-18(25)21-15/h1-9H,10-12H2,(H,19,23)(H,20,24)(H,21,25)
InChIKeyRZPYBYXKZAVINP-UHFFFAOYSA-N
XLogP0.95
TPSA101.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[bis[(6-oxo-1H-pyridin-2-yl)methyl]amino]methyl]-1H-pyridin-2-one?
The IUPAC name of 6-[[bis[(6-oxo-1H-pyridin-2-yl)methyl]amino]methyl]-1H-pyridin-2-one (CID 102133151) is 6-[[bis[(6-oxo-1H-pyridin-2-yl)methyl]amino]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[[bis[(6-oxo-1H-pyridin-2-yl)methyl]amino]methyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[[bis[(6-oxo-1H-pyridin-2-yl)methyl]amino]methyl]-1H-pyridin-2-one is O=c1cccc(CN(Cc2cccc(=O)[nH]2)Cc2cccc(=O)[nH]2)[nH]1.
What is the InChIKey of 6-[[bis[(6-oxo-1H-pyridin-2-yl)methyl]amino]methyl]-1H-pyridin-2-one?
The InChIKey is RZPYBYXKZAVINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c23-16-7-1-4-13(19-16)10-22(11-14-5-2-8-17(24)20-14)12-15-6-3-9-18(25)21-15/h1-9H,10-12H2,(H,19,23)(H,20,24)(H,21,25).
What are the key properties of 6-[[bis[(6-oxo-1H-pyridin-2-yl)methyl]amino]methyl]-1H-pyridin-2-one?
6-[[bis[(6-oxo-1H-pyridin-2-yl)methyl]amino]methyl]-1H-pyridin-2-one has a molecular weight of 338.37 g/mol, XLogP of 0.95, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[bis[(6-oxo-1H-pyridin-2-yl)methyl]amino]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 102133151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).