3-amino-5-(3-amino-1,2-dihydroxypropyl)-1H-pyridin-2-one

C8H13N3O3 — CID 170827738

IUPAC3-amino-5-(3-amino-1,2-dihydroxypropyl)-1H-pyridin-2-one
SMILESNCC(O)C(O)c1c[nH]c(=O)c(N)c1
InChIInChI=1S/C8H13N3O3/c9-2-6(12)7(13)4-1-5(10)8(14)11-3-4/h1,3,6-7,12-13H,2,9-10H2,(H,11,14)
InChIKeyLPXJCEMYSWIEKT-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.69
Rot. Bonds3

About 3-amino-5-(3-amino-1,2-dihydroxypropyl)-1H-pyridin-2-one

3-amino-5-(3-amino-1,2-dihydroxypropyl)-1H-pyridin-2-one (PubChem CID 170827738) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 3-amino-5-(3-amino-1,2-dihydroxypropyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-(3-amino-1,2-dihydroxypropyl)-1H-pyridin-2-one
PubChem CID170827738
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name3-amino-5-(3-amino-1,2-dihydroxypropyl)-1H-pyridin-2-one
SMILESNCC(O)C(O)c1c[nH]c(=O)c(N)c1
InChIInChI=1S/C8H13N3O3/c9-2-6(12)7(13)4-1-5(10)8(14)11-3-4/h1,3,6-7,12-13H,2,9-10H2,(H,11,14)
InChIKeyLPXJCEMYSWIEKT-UHFFFAOYSA-N
XLogP-1.69
TPSA125.36 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-amino-1,2-dihydroxypropyl)-1H-pyridin-2-one?
The IUPAC name of 3-amino-5-(3-amino-1,2-dihydroxypropyl)-1H-pyridin-2-one (CID 170827738) is 3-amino-5-(3-amino-1,2-dihydroxypropyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-5-(3-amino-1,2-dihydroxypropyl)-1H-pyridin-2-one?
The canonical SMILES for 3-amino-5-(3-amino-1,2-dihydroxypropyl)-1H-pyridin-2-one is NCC(O)C(O)c1c[nH]c(=O)c(N)c1.
What is the InChIKey of 3-amino-5-(3-amino-1,2-dihydroxypropyl)-1H-pyridin-2-one?
The InChIKey is LPXJCEMYSWIEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c9-2-6(12)7(13)4-1-5(10)8(14)11-3-4/h1,3,6-7,12-13H,2,9-10H2,(H,11,14).
What are the key properties of 3-amino-5-(3-amino-1,2-dihydroxypropyl)-1H-pyridin-2-one?
3-amino-5-(3-amino-1,2-dihydroxypropyl)-1H-pyridin-2-one has a molecular weight of 199.21 g/mol, XLogP of -1.69, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-amino-1,2-dihydroxypropyl)-1H-pyridin-2-one is sourced from PubChem (CID 170827738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).