4-carbamoyl-2-ethyl-5-hydroxy-6-methylpyridine-3-carboxylic acid

C10H12N2O4 — CID 45122541

IUPAC4-carbamoyl-2-ethyl-5-hydroxy-6-methylpyridine-3-carboxylic acid
SMILESCCc1nc(C)c(O)c(C(N)=O)c1C(=O)O
InChIInChI=1S/C10H12N2O4/c1-3-5-6(10(15)16)7(9(11)14)8(13)4(2)12-5/h13H,3H2,1-2H3,(H2,11,14)(H,15,16)
InChIKeyPSCZENYAMBWONI-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.46
Rot. Bonds3

About 4-carbamoyl-2-ethyl-5-hydroxy-6-methylpyridine-3-carboxylic acid

4-carbamoyl-2-ethyl-5-hydroxy-6-methylpyridine-3-carboxylic acid (PubChem CID 45122541) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 4-carbamoyl-2-ethyl-5-hydroxy-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-carbamoyl-2-ethyl-5-hydroxy-6-methylpyridine-3-carboxylic acid
PubChem CID45122541
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name4-carbamoyl-2-ethyl-5-hydroxy-6-methylpyridine-3-carboxylic acid
SMILESCCc1nc(C)c(O)c(C(N)=O)c1C(=O)O
InChIInChI=1S/C10H12N2O4/c1-3-5-6(10(15)16)7(9(11)14)8(13)4(2)12-5/h13H,3H2,1-2H3,(H2,11,14)(H,15,16)
InChIKeyPSCZENYAMBWONI-UHFFFAOYSA-N
XLogP0.46
TPSA113.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-carbamoyl-2-ethyl-5-hydroxy-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-carbamoyl-2-ethyl-5-hydroxy-6-methylpyridine-3-carboxylic acid (CID 45122541) is 4-carbamoyl-2-ethyl-5-hydroxy-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-carbamoyl-2-ethyl-5-hydroxy-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-carbamoyl-2-ethyl-5-hydroxy-6-methylpyridine-3-carboxylic acid is CCc1nc(C)c(O)c(C(N)=O)c1C(=O)O.
What is the InChIKey of 4-carbamoyl-2-ethyl-5-hydroxy-6-methylpyridine-3-carboxylic acid?
The InChIKey is PSCZENYAMBWONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-3-5-6(10(15)16)7(9(11)14)8(13)4(2)12-5/h13H,3H2,1-2H3,(H2,11,14)(H,15,16).
What are the key properties of 4-carbamoyl-2-ethyl-5-hydroxy-6-methylpyridine-3-carboxylic acid?
4-carbamoyl-2-ethyl-5-hydroxy-6-methylpyridine-3-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of 0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamoyl-2-ethyl-5-hydroxy-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 45122541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).