1-(2-hydroxypropyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide

C12H18N2O3 — CID 59842896

IUPAC1-(2-hydroxypropyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(O)Cn1cc(C(=O)NC(C)C)ccc1=O
InChIInChI=1S/C12H18N2O3/c1-8(2)13-12(17)10-4-5-11(16)14(7-10)6-9(3)15/h4-5,7-9,15H,6H2,1-3H3,(H,13,17)
InChIKeyRDTVWLUPZQBEGB-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.37
Rot. Bonds4

About 1-(2-hydroxypropyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide

1-(2-hydroxypropyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 59842896) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(2-hydroxypropyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxypropyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide
PubChem CID59842896
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-(2-hydroxypropyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(O)Cn1cc(C(=O)NC(C)C)ccc1=O
InChIInChI=1S/C12H18N2O3/c1-8(2)13-12(17)10-4-5-11(16)14(7-10)6-9(3)15/h4-5,7-9,15H,6H2,1-3H3,(H,13,17)
InChIKeyRDTVWLUPZQBEGB-UHFFFAOYSA-N
XLogP0.37
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 1-(2-hydroxypropyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide (CID 59842896) is 1-(2-hydroxypropyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 1-(2-hydroxypropyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 1-(2-hydroxypropyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide is CC(O)Cn1cc(C(=O)NC(C)C)ccc1=O.
What is the InChIKey of 1-(2-hydroxypropyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is RDTVWLUPZQBEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8(2)13-12(17)10-4-5-11(16)14(7-10)6-9(3)15/h4-5,7-9,15H,6H2,1-3H3,(H,13,17).
What are the key properties of 1-(2-hydroxypropyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide?
1-(2-hydroxypropyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 59842896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).