3-amino-5-[1,2-dihydroxy-3-(methylamino)propyl]-1H-pyridin-2-one

C9H15N3O3 — CID 171857644

IUPAC3-amino-5-[1,2-dihydroxy-3-(methylamino)propyl]-1H-pyridin-2-one
SMILESCNCC(O)C(O)c1c[nH]c(=O)c(N)c1
InChIInChI=1S/C9H15N3O3/c1-11-4-7(13)8(14)5-2-6(10)9(15)12-3-5/h2-3,7-8,11,13-14H,4,10H2,1H3,(H,12,15)
InChIKeyNFKFMCLVZVCXNH-UHFFFAOYSA-N
MW213.24 g/mol
LogP-1.43
Rot. Bonds4

About 3-amino-5-[1,2-dihydroxy-3-(methylamino)propyl]-1H-pyridin-2-one

3-amino-5-[1,2-dihydroxy-3-(methylamino)propyl]-1H-pyridin-2-one (PubChem CID 171857644) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-amino-5-[1,2-dihydroxy-3-(methylamino)propyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-[1,2-dihydroxy-3-(methylamino)propyl]-1H-pyridin-2-one
PubChem CID171857644
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name3-amino-5-[1,2-dihydroxy-3-(methylamino)propyl]-1H-pyridin-2-one
SMILESCNCC(O)C(O)c1c[nH]c(=O)c(N)c1
InChIInChI=1S/C9H15N3O3/c1-11-4-7(13)8(14)5-2-6(10)9(15)12-3-5/h2-3,7-8,11,13-14H,4,10H2,1H3,(H,12,15)
InChIKeyNFKFMCLVZVCXNH-UHFFFAOYSA-N
XLogP-1.43
TPSA111.37 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-1.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[1,2-dihydroxy-3-(methylamino)propyl]-1H-pyridin-2-one?
The IUPAC name of 3-amino-5-[1,2-dihydroxy-3-(methylamino)propyl]-1H-pyridin-2-one (CID 171857644) is 3-amino-5-[1,2-dihydroxy-3-(methylamino)propyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-5-[1,2-dihydroxy-3-(methylamino)propyl]-1H-pyridin-2-one?
The canonical SMILES for 3-amino-5-[1,2-dihydroxy-3-(methylamino)propyl]-1H-pyridin-2-one is CNCC(O)C(O)c1c[nH]c(=O)c(N)c1.
What is the InChIKey of 3-amino-5-[1,2-dihydroxy-3-(methylamino)propyl]-1H-pyridin-2-one?
The InChIKey is NFKFMCLVZVCXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-11-4-7(13)8(14)5-2-6(10)9(15)12-3-5/h2-3,7-8,11,13-14H,4,10H2,1H3,(H,12,15).
What are the key properties of 3-amino-5-[1,2-dihydroxy-3-(methylamino)propyl]-1H-pyridin-2-one?
3-amino-5-[1,2-dihydroxy-3-(methylamino)propyl]-1H-pyridin-2-one has a molecular weight of 213.24 g/mol, XLogP of -1.43, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[1,2-dihydroxy-3-(methylamino)propyl]-1H-pyridin-2-one is sourced from PubChem (CID 171857644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).