N-(1-hydroxypropyl)-N-(2-oxo-6-pyridin-3-ylpyran-3-yl)acetamide

C15H16N2O4 — CID 123327559

IUPACN-(1-hydroxypropyl)-N-(2-oxo-6-pyridin-3-ylpyran-3-yl)acetamide
SMILESCCC(O)N(C(C)=O)c1ccc(-c2cccnc2)oc1=O
InChIInChI=1S/C15H16N2O4/c1-3-14(19)17(10(2)18)12-6-7-13(21-15(12)20)11-5-4-8-16-9-11/h4-9,14,19H,3H2,1-2H3
InChIKeyOMDWMGRJBCOYDV-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.78
Rot. Bonds4

About N-(1-hydroxypropyl)-N-(2-oxo-6-pyridin-3-ylpyran-3-yl)acetamide

N-(1-hydroxypropyl)-N-(2-oxo-6-pyridin-3-ylpyran-3-yl)acetamide (PubChem CID 123327559) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is N-(1-hydroxypropyl)-N-(2-oxo-6-pyridin-3-ylpyran-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-hydroxypropyl)-N-(2-oxo-6-pyridin-3-ylpyran-3-yl)acetamide
PubChem CID123327559
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC NameN-(1-hydroxypropyl)-N-(2-oxo-6-pyridin-3-ylpyran-3-yl)acetamide
SMILESCCC(O)N(C(C)=O)c1ccc(-c2cccnc2)oc1=O
InChIInChI=1S/C15H16N2O4/c1-3-14(19)17(10(2)18)12-6-7-13(21-15(12)20)11-5-4-8-16-9-11/h4-9,14,19H,3H2,1-2H3
InChIKeyOMDWMGRJBCOYDV-UHFFFAOYSA-N
XLogP1.78
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(2-oxo-6-pyridin-3-ylpyran-3-yl)benzamide
CID 67109071
N-acetyl-3-chloro-N-(2-oxo-6-pyridin-3-ylpyran-3-yl)benzamide
CID 67108892
1-butyl-3-(2-oxo-6-pyridin-3-ylpyran-3-yl)urea
CID 67108655
1-(2-oxo-6-pyridin-3-ylpyran-3-yl)-3-prop-2-enylurea
CID 67108929
1-benzyl-3-(2-oxo-6-pyridin-3-ylpyran-3-yl)urea
CID 67109097
N-[(5-pyridin-3-ylfuran-2-yl)methyl]propan-2-amine
CID 103625236
2-[(5-pyridin-3-ylfuran-2-yl)methylidene]butan-1-amine
CID 79322193
3-[5-[(E)-2-nitroprop-1-enyl]furan-2-yl]pyridine
CID 55016356
2-methyl-5-pyridin-3-ylfuran-3-carboxylic acid
CID 83597575
4-hydroxy-6-pyridin-3-ylpyran-2-one
CID 54684893
pentan-3-yl(pyridin-3-yl)carbamic acid
CID 174673896
N-(4-chloro-2-oxo-6-pyridin-3-ylpyran-3-yl)-N-(cyclopropanecarbonyl)cyclopropanecarboxamide
CID 67109498

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropyl)-N-(2-oxo-6-pyridin-3-ylpyran-3-yl)acetamide?
The IUPAC name of N-(1-hydroxypropyl)-N-(2-oxo-6-pyridin-3-ylpyran-3-yl)acetamide (CID 123327559) is N-(1-hydroxypropyl)-N-(2-oxo-6-pyridin-3-ylpyran-3-yl)acetamide.
What is the SMILES notation for N-(1-hydroxypropyl)-N-(2-oxo-6-pyridin-3-ylpyran-3-yl)acetamide?
The canonical SMILES for N-(1-hydroxypropyl)-N-(2-oxo-6-pyridin-3-ylpyran-3-yl)acetamide is CCC(O)N(C(C)=O)c1ccc(-c2cccnc2)oc1=O.
What is the InChIKey of N-(1-hydroxypropyl)-N-(2-oxo-6-pyridin-3-ylpyran-3-yl)acetamide?
The InChIKey is OMDWMGRJBCOYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-3-14(19)17(10(2)18)12-6-7-13(21-15(12)20)11-5-4-8-16-9-11/h4-9,14,19H,3H2,1-2H3.
What are the key properties of N-(1-hydroxypropyl)-N-(2-oxo-6-pyridin-3-ylpyran-3-yl)acetamide?
N-(1-hydroxypropyl)-N-(2-oxo-6-pyridin-3-ylpyran-3-yl)acetamide has a molecular weight of 288.30 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropyl)-N-(2-oxo-6-pyridin-3-ylpyran-3-yl)acetamide is sourced from PubChem (CID 123327559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).