6-amino-N-(hydroxymethyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide

C8H11N3O3 — CID 144602999

IUPAC6-amino-N-(hydroxymethyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(N)[nH]c(=O)c1C(=O)NCO
InChIInChI=1S/C8H11N3O3/c1-4-2-5(9)11-8(14)6(4)7(13)10-3-12/h2,12H,3H2,1H3,(H,10,13)(H3,9,11,14)
InChIKeyYUDXTJVLNWCNFD-UHFFFAOYSA-N
MW197.19 g/mol
LogP-1.05
Rot. Bonds2

About 6-amino-N-(hydroxymethyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide

6-amino-N-(hydroxymethyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 144602999) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 6-amino-N-(hydroxymethyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(hydroxymethyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID144602999
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name6-amino-N-(hydroxymethyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(N)[nH]c(=O)c1C(=O)NCO
InChIInChI=1S/C8H11N3O3/c1-4-2-5(9)11-8(14)6(4)7(13)10-3-12/h2,12H,3H2,1H3,(H,10,13)(H3,9,11,14)
InChIKeyYUDXTJVLNWCNFD-UHFFFAOYSA-N
XLogP-1.05
TPSA108.21 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(hydroxymethyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-(hydroxymethyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 144602999) is 6-amino-N-(hydroxymethyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-(hydroxymethyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-(hydroxymethyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(N)[nH]c(=O)c1C(=O)NCO.
What is the InChIKey of 6-amino-N-(hydroxymethyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is YUDXTJVLNWCNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-4-2-5(9)11-8(14)6(4)7(13)10-3-12/h2,12H,3H2,1H3,(H,10,13)(H3,9,11,14).
What are the key properties of 6-amino-N-(hydroxymethyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide?
6-amino-N-(hydroxymethyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 197.19 g/mol, XLogP of -1.05, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(hydroxymethyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 144602999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).