2-(3-hydroxy-2-oxo-1-pyridinyl)-N-[2-[2-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]-methylamino]ethyl-methylamino]ethyl]-N-methylacetamide

C21H29N5O6 — CID 102350449

IUPAC2-(3-hydroxy-2-oxo-1-pyridinyl)-N-[2-[2-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]-methylamino]ethyl-methylamino]ethyl]-N-methylacetamide
SMILESCN(CCN(C)C(=O)Cn1cccc(O)c1=O)CCN(C)C(=O)Cn1cccc(O)c1=O
InChIInChI=1S/C21H29N5O6/c1-22(10-12-23(2)18(29)14-25-8-4-6-16(27)20(25)31)11-13-24(3)19(30)15-26-9-5-7-17(28)21(26)32/h4-9,27-28H,10-15H2,1-3H3
InChIKeyVCSBLHWDZGDYAK-UHFFFAOYSA-N
MW447.49 g/mol
LogP-1.03
Rot. Bonds10

About 2-(3-hydroxy-2-oxo-1-pyridinyl)-N-[2-[2-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]-methylamino]ethyl-methylamino]ethyl]-N-methylacetamide

2-(3-hydroxy-2-oxo-1-pyridinyl)-N-[2-[2-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]-methylamino]ethyl-methylamino]ethyl]-N-methylacetamide (PubChem CID 102350449) has the molecular formula C21H29N5O6 and a molecular weight of 447.49 g/mol. Its IUPAC name is 2-(3-hydroxy-2-oxo-1-pyridinyl)-N-[2-[2-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]-methylamino]ethyl-methylamino]ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3-hydroxy-2-oxo-1-pyridinyl)-N-[2-[2-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]-methylamino]ethyl-methylamino]ethyl]-N-methylacetamide
PubChem CID102350449
Molecular FormulaC21H29N5O6
Molecular Weight447.49 g/mol
Exact Mass447.21
IUPAC Name2-(3-hydroxy-2-oxo-1-pyridinyl)-N-[2-[2-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]-methylamino]ethyl-methylamino]ethyl]-N-methylacetamide
SMILESCN(CCN(C)C(=O)Cn1cccc(O)c1=O)CCN(C)C(=O)Cn1cccc(O)c1=O
InChIInChI=1S/C21H29N5O6/c1-22(10-12-23(2)18(29)14-25-8-4-6-16(27)20(25)31)11-13-24(3)19(30)15-26-9-5-7-17(28)21(26)32/h4-9,27-28H,10-15H2,1-3H3
InChIKeyVCSBLHWDZGDYAK-UHFFFAOYSA-N
XLogP-1.03
TPSA128.32 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-oxo-1-pyridinyl)-N-[2-[2-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]-methylamino]ethyl-methylamino]ethyl]-N-methylacetamide?
The IUPAC name of 2-(3-hydroxy-2-oxo-1-pyridinyl)-N-[2-[2-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]-methylamino]ethyl-methylamino]ethyl]-N-methylacetamide (CID 102350449) is 2-(3-hydroxy-2-oxo-1-pyridinyl)-N-[2-[2-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]-methylamino]ethyl-methylamino]ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(3-hydroxy-2-oxo-1-pyridinyl)-N-[2-[2-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]-methylamino]ethyl-methylamino]ethyl]-N-methylacetamide?
The canonical SMILES for 2-(3-hydroxy-2-oxo-1-pyridinyl)-N-[2-[2-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]-methylamino]ethyl-methylamino]ethyl]-N-methylacetamide is CN(CCN(C)C(=O)Cn1cccc(O)c1=O)CCN(C)C(=O)Cn1cccc(O)c1=O.
What is the InChIKey of 2-(3-hydroxy-2-oxo-1-pyridinyl)-N-[2-[2-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]-methylamino]ethyl-methylamino]ethyl]-N-methylacetamide?
The InChIKey is VCSBLHWDZGDYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O6/c1-22(10-12-23(2)18(29)14-25-8-4-6-16(27)20(25)31)11-13-24(3)19(30)15-26-9-5-7-17(28)21(26)32/h4-9,27-28H,10-15H2,1-3H3.
What are the key properties of 2-(3-hydroxy-2-oxo-1-pyridinyl)-N-[2-[2-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]-methylamino]ethyl-methylamino]ethyl]-N-methylacetamide?
2-(3-hydroxy-2-oxo-1-pyridinyl)-N-[2-[2-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]-methylamino]ethyl-methylamino]ethyl]-N-methylacetamide has a molecular weight of 447.49 g/mol, XLogP of -1.03, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-oxo-1-pyridinyl)-N-[2-[2-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]-methylamino]ethyl-methylamino]ethyl]-N-methylacetamide is sourced from PubChem (CID 102350449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).