N-(2-amino-3-hydroxybutyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide

C10H15N3O4 — CID 64539564

IUPACN-(2-amino-3-hydroxybutyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide
SMILESCC(O)C(N)CNC(=O)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C10H15N3O4/c1-5(14)7(11)4-12-10(17)6-2-8(15)13-9(16)3-6/h2-3,5,7,14H,4,11H2,1H3,(H,12,17)(H2,13,15,16)
InChIKeyTZRGQIHYPCAWOW-UHFFFAOYSA-N
MW241.25 g/mol
LogP-1.48
Rot. Bonds4

About N-(2-amino-3-hydroxybutyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide

N-(2-amino-3-hydroxybutyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 64539564) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-(2-amino-3-hydroxybutyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-3-hydroxybutyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide
PubChem CID64539564
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC NameN-(2-amino-3-hydroxybutyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide
SMILESCC(O)C(N)CNC(=O)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C10H15N3O4/c1-5(14)7(11)4-12-10(17)6-2-8(15)13-9(16)3-6/h2-3,5,7,14H,4,11H2,1H3,(H,12,17)(H2,13,15,16)
InChIKeyTZRGQIHYPCAWOW-UHFFFAOYSA-N
XLogP-1.48
TPSA128.44 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-hydroxybutyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-(2-amino-3-hydroxybutyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide (CID 64539564) is N-(2-amino-3-hydroxybutyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-(2-amino-3-hydroxybutyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-(2-amino-3-hydroxybutyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide is CC(O)C(N)CNC(=O)c1cc(O)[nH]c(=O)c1.
What is the InChIKey of N-(2-amino-3-hydroxybutyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is TZRGQIHYPCAWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-5(14)7(11)4-12-10(17)6-2-8(15)13-9(16)3-6/h2-3,5,7,14H,4,11H2,1H3,(H,12,17)(H2,13,15,16).
What are the key properties of N-(2-amino-3-hydroxybutyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide?
N-(2-amino-3-hydroxybutyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 241.25 g/mol, XLogP of -1.48, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-hydroxybutyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 64539564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).