4-amino-N'-[3-(1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide

C14H16N4O2 — CID 137282032

IUPAC4-amino-N'-[3-(1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide
SMILESCC(O)c1cccc(/N=C(\N)c2c(N)cc[nH]c2=O)c1
InChIInChI=1S/C14H16N4O2/c1-8(19)9-3-2-4-10(7-9)18-13(16)12-11(15)5-6-17-14(12)20/h2-8,19H,1H3,(H2,16,18)(H3,15,17,20)
InChIKeyCATAOYQJHFHJCF-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.05
Rot. Bonds3

About 4-amino-N'-[3-(1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide

4-amino-N'-[3-(1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide (PubChem CID 137282032) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-amino-N'-[3-(1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide.

Molecular Properties

Compound Name4-amino-N'-[3-(1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide
PubChem CID137282032
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name4-amino-N'-[3-(1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide
SMILESCC(O)c1cccc(/N=C(\N)c2c(N)cc[nH]c2=O)c1
InChIInChI=1S/C14H16N4O2/c1-8(19)9-3-2-4-10(7-9)18-13(16)12-11(15)5-6-17-14(12)20/h2-8,19H,1H3,(H2,16,18)(H3,15,17,20)
InChIKeyCATAOYQJHFHJCF-UHFFFAOYSA-N
XLogP1.05
TPSA117.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N'-[3-(1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide?
The IUPAC name of 4-amino-N'-[3-(1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide (CID 137282032) is 4-amino-N'-[3-(1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide.
What is the SMILES notation for 4-amino-N'-[3-(1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide?
The canonical SMILES for 4-amino-N'-[3-(1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide is CC(O)c1cccc(/N=C(\N)c2c(N)cc[nH]c2=O)c1.
What is the InChIKey of 4-amino-N'-[3-(1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide?
The InChIKey is CATAOYQJHFHJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-8(19)9-3-2-4-10(7-9)18-13(16)12-11(15)5-6-17-14(12)20/h2-8,19H,1H3,(H2,16,18)(H3,15,17,20).
What are the key properties of 4-amino-N'-[3-(1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide?
4-amino-N'-[3-(1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide has a molecular weight of 272.31 g/mol, XLogP of 1.05, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-[3-(1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide is sourced from PubChem (CID 137282032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).