N-butyl-N,2,4-trimethyl-6-oxopyran-3-carboxamide

C13H19NO3 — CID 110699320

IUPACN-butyl-N,2,4-trimethyl-6-oxopyran-3-carboxamide
SMILESCCCCN(C)C(=O)c1c(C)cc(=O)oc1C
InChIInChI=1S/C13H19NO3/c1-5-6-7-14(4)13(16)12-9(2)8-11(15)17-10(12)3/h8H,5-7H2,1-4H3
InChIKeyZUQQSCXNJIEHTC-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.13
Rot. Bonds4

About N-butyl-N,2,4-trimethyl-6-oxopyran-3-carboxamide

N-butyl-N,2,4-trimethyl-6-oxopyran-3-carboxamide (PubChem CID 110699320) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-butyl-N,2,4-trimethyl-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N,2,4-trimethyl-6-oxopyran-3-carboxamide
PubChem CID110699320
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-butyl-N,2,4-trimethyl-6-oxopyran-3-carboxamide
SMILESCCCCN(C)C(=O)c1c(C)cc(=O)oc1C
InChIInChI=1S/C13H19NO3/c1-5-6-7-14(4)13(16)12-9(2)8-11(15)17-10(12)3/h8H,5-7H2,1-4H3
InChIKeyZUQQSCXNJIEHTC-UHFFFAOYSA-N
XLogP2.13
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-butyl-N,2,4-trimethyl-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

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,2,4-trimethyl-6-oxopyran-3-carboxamide?
The IUPAC name of N-butyl-N,2,4-trimethyl-6-oxopyran-3-carboxamide (CID 110699320) is N-butyl-N,2,4-trimethyl-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-butyl-N,2,4-trimethyl-6-oxopyran-3-carboxamide?
The canonical SMILES for N-butyl-N,2,4-trimethyl-6-oxopyran-3-carboxamide is CCCCN(C)C(=O)c1c(C)cc(=O)oc1C.
What is the InChIKey of N-butyl-N,2,4-trimethyl-6-oxopyran-3-carboxamide?
The InChIKey is ZUQQSCXNJIEHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-5-6-7-14(4)13(16)12-9(2)8-11(15)17-10(12)3/h8H,5-7H2,1-4H3.
What are the key properties of N-butyl-N,2,4-trimethyl-6-oxopyran-3-carboxamide?
N-butyl-N,2,4-trimethyl-6-oxopyran-3-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,2,4-trimethyl-6-oxopyran-3-carboxamide is sourced from PubChem (CID 110699320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).