1,6-diamino-3,5-bis(aminomethyl)-4-thiophen-2-ylpyridin-2-one

C11H15N5OS — CID 170875480

IUPAC1,6-diamino-3,5-bis(aminomethyl)-4-thiophen-2-ylpyridin-2-one
SMILESNCc1c(-c2cccs2)c(CN)c(=O)n(N)c1N
InChIInChI=1S/C11H15N5OS/c12-4-6-9(8-2-1-3-18-8)7(5-13)11(17)16(15)10(6)14/h1-3H,4-5,12-15H2
InChIKeySGDILENAWIEYGG-UHFFFAOYSA-N
MW265.34 g/mol
LogP-0.21
Rot. Bonds3

About 1,6-diamino-3,5-bis(aminomethyl)-4-thiophen-2-ylpyridin-2-one

1,6-diamino-3,5-bis(aminomethyl)-4-thiophen-2-ylpyridin-2-one (PubChem CID 170875480) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 1,6-diamino-3,5-bis(aminomethyl)-4-thiophen-2-ylpyridin-2-one.

Molecular Properties

Compound Name1,6-diamino-3,5-bis(aminomethyl)-4-thiophen-2-ylpyridin-2-one
PubChem CID170875480
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name1,6-diamino-3,5-bis(aminomethyl)-4-thiophen-2-ylpyridin-2-one
SMILESNCc1c(-c2cccs2)c(CN)c(=O)n(N)c1N
InChIInChI=1S/C11H15N5OS/c12-4-6-9(8-2-1-3-18-8)7(5-13)11(17)16(15)10(6)14/h1-3H,4-5,12-15H2
InChIKeySGDILENAWIEYGG-UHFFFAOYSA-N
XLogP-0.21
TPSA126.08 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 5-0.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,6-diamino-3,5-bis(aminomethyl)-4-thiophen-2-ylpyridin-2-one?
The IUPAC name of 1,6-diamino-3,5-bis(aminomethyl)-4-thiophen-2-ylpyridin-2-one (CID 170875480) is 1,6-diamino-3,5-bis(aminomethyl)-4-thiophen-2-ylpyridin-2-one.
What is the SMILES notation for 1,6-diamino-3,5-bis(aminomethyl)-4-thiophen-2-ylpyridin-2-one?
The canonical SMILES for 1,6-diamino-3,5-bis(aminomethyl)-4-thiophen-2-ylpyridin-2-one is NCc1c(-c2cccs2)c(CN)c(=O)n(N)c1N.
What is the InChIKey of 1,6-diamino-3,5-bis(aminomethyl)-4-thiophen-2-ylpyridin-2-one?
The InChIKey is SGDILENAWIEYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c12-4-6-9(8-2-1-3-18-8)7(5-13)11(17)16(15)10(6)14/h1-3H,4-5,12-15H2.
What are the key properties of 1,6-diamino-3,5-bis(aminomethyl)-4-thiophen-2-ylpyridin-2-one?
1,6-diamino-3,5-bis(aminomethyl)-4-thiophen-2-ylpyridin-2-one has a molecular weight of 265.34 g/mol, XLogP of -0.21, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-diamino-3,5-bis(aminomethyl)-4-thiophen-2-ylpyridin-2-one is sourced from PubChem (CID 170875480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).