3-hydroxy-1-(2-hydroxyethyl)-4-oxo-N-propylpyridine-2-carboxamide

C11H16N2O4 — CID 143761949

IUPAC3-hydroxy-1-(2-hydroxyethyl)-4-oxo-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1c(O)c(=O)ccn1CCO
InChIInChI=1S/C11H16N2O4/c1-2-4-12-11(17)9-10(16)8(15)3-5-13(9)6-7-14/h3,5,14,16H,2,4,6-7H2,1H3,(H,12,17)
InChIKeyNZBCKZMMIHTMRV-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.31
Rot. Bonds5

About 3-hydroxy-1-(2-hydroxyethyl)-4-oxo-N-propylpyridine-2-carboxamide

3-hydroxy-1-(2-hydroxyethyl)-4-oxo-N-propylpyridine-2-carboxamide (PubChem CID 143761949) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-hydroxy-1-(2-hydroxyethyl)-4-oxo-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-1-(2-hydroxyethyl)-4-oxo-N-propylpyridine-2-carboxamide
PubChem CID143761949
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name3-hydroxy-1-(2-hydroxyethyl)-4-oxo-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1c(O)c(=O)ccn1CCO
InChIInChI=1S/C11H16N2O4/c1-2-4-12-11(17)9-10(16)8(15)3-5-13(9)6-7-14/h3,5,14,16H,2,4,6-7H2,1H3,(H,12,17)
InChIKeyNZBCKZMMIHTMRV-UHFFFAOYSA-N
XLogP-0.31
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(2-hydroxyethyl)-4-oxo-N-propylpyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-1-(2-hydroxyethyl)-4-oxo-N-propylpyridine-2-carboxamide (CID 143761949) is 3-hydroxy-1-(2-hydroxyethyl)-4-oxo-N-propylpyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-1-(2-hydroxyethyl)-4-oxo-N-propylpyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-1-(2-hydroxyethyl)-4-oxo-N-propylpyridine-2-carboxamide is CCCNC(=O)c1c(O)c(=O)ccn1CCO.
What is the InChIKey of 3-hydroxy-1-(2-hydroxyethyl)-4-oxo-N-propylpyridine-2-carboxamide?
The InChIKey is NZBCKZMMIHTMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-2-4-12-11(17)9-10(16)8(15)3-5-13(9)6-7-14/h3,5,14,16H,2,4,6-7H2,1H3,(H,12,17).
What are the key properties of 3-hydroxy-1-(2-hydroxyethyl)-4-oxo-N-propylpyridine-2-carboxamide?
3-hydroxy-1-(2-hydroxyethyl)-4-oxo-N-propylpyridine-2-carboxamide has a molecular weight of 240.26 g/mol, XLogP of -0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(2-hydroxyethyl)-4-oxo-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 143761949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).