N-(3-hydroxybutyl)-6-oxopyran-3-carboxamide

C10H13NO4 — CID 64911371

IUPACN-(3-hydroxybutyl)-6-oxopyran-3-carboxamide
SMILESCC(O)CCNC(=O)c1ccc(=O)oc1
InChIInChI=1S/C10H13NO4/c1-7(12)4-5-11-10(14)8-2-3-9(13)15-6-8/h2-3,6-7,12H,4-5H2,1H3,(H,11,14)
InChIKeySETGKGLKJPULTA-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.14
Rot. Bonds4

About N-(3-hydroxybutyl)-6-oxopyran-3-carboxamide

N-(3-hydroxybutyl)-6-oxopyran-3-carboxamide (PubChem CID 64911371) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-6-oxopyran-3-carboxamide
PubChem CID64911371
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC NameN-(3-hydroxybutyl)-6-oxopyran-3-carboxamide
SMILESCC(O)CCNC(=O)c1ccc(=O)oc1
InChIInChI=1S/C10H13NO4/c1-7(12)4-5-11-10(14)8-2-3-9(13)15-6-8/h2-3,6-7,12H,4-5H2,1H3,(H,11,14)
InChIKeySETGKGLKJPULTA-UHFFFAOYSA-N
XLogP0.14
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-hydroxybutyl)-6-oxopyran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-6-oxopyran-3-carboxamide
CID 110697442
2-methyl-3-[(6-oxopyran-3-carbonyl)amino]propanoic acid
CID 62675301
4-hydroxy-N-(3-hydroxybutyl)benzamide
CID 64912837
6-oxopyran-3-carbohydrazide
CID 130710971
4-hydroxy-N-(3-hydroxybutyl)-3-methylbenzamide
CID 103956091
4-(difluoromethylsulfanyl)-N-(3-hydroxybutyl)benzamide
CID 111429189
N-but-3-yn-2-yl-6-oxopyran-3-carboxamide
CID 114418995
N-(3-hydroxybutyl)-4-(1,2,4-triazol-4-yl)benzamide
CID 111433796
3-chloro-N-(3-hydroxybutyl)-4-iodobenzamide
CID 103736317
N-(3-hydroxybutyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxamide
CID 111433798
4-hydroxy-N-(4-hydroxypentyl)benzamide
CID 107300182
N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-6-oxopyran-3-carboxamide
CID 164688722

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-6-oxopyran-3-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-6-oxopyran-3-carboxamide (CID 64911371) is N-(3-hydroxybutyl)-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-6-oxopyran-3-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-6-oxopyran-3-carboxamide is CC(O)CCNC(=O)c1ccc(=O)oc1.
What is the InChIKey of N-(3-hydroxybutyl)-6-oxopyran-3-carboxamide?
The InChIKey is SETGKGLKJPULTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-7(12)4-5-11-10(14)8-2-3-9(13)15-6-8/h2-3,6-7,12H,4-5H2,1H3,(H,11,14).
What are the key properties of N-(3-hydroxybutyl)-6-oxopyran-3-carboxamide?
N-(3-hydroxybutyl)-6-oxopyran-3-carboxamide has a molecular weight of 211.22 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-6-oxopyran-3-carboxamide is sourced from PubChem (CID 64911371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).