2,4-dimethyl-6-oxo-N,N-dipropylpyran-3-carboxamide

C14H21NO3 — CID 110699323

IUPAC2,4-dimethyl-6-oxo-N,N-dipropylpyran-3-carboxamide
SMILESCCCN(CCC)C(=O)c1c(C)cc(=O)oc1C
InChIInChI=1S/C14H21NO3/c1-5-7-15(8-6-2)14(17)13-10(3)9-12(16)18-11(13)4/h9H,5-8H2,1-4H3
InChIKeyHCAKQHPPWMFDBY-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.52
Rot. Bonds5

About 2,4-dimethyl-6-oxo-N,N-dipropylpyran-3-carboxamide

2,4-dimethyl-6-oxo-N,N-dipropylpyran-3-carboxamide (PubChem CID 110699323) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2,4-dimethyl-6-oxo-N,N-dipropylpyran-3-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-6-oxo-N,N-dipropylpyran-3-carboxamide
PubChem CID110699323
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2,4-dimethyl-6-oxo-N,N-dipropylpyran-3-carboxamide
SMILESCCCN(CCC)C(=O)c1c(C)cc(=O)oc1C
InChIInChI=1S/C14H21NO3/c1-5-7-15(8-6-2)14(17)13-10(3)9-12(16)18-11(13)4/h9H,5-8H2,1-4H3
InChIKeyHCAKQHPPWMFDBY-UHFFFAOYSA-N
XLogP2.52
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-oxo-N,N-dipropylpyran-3-carboxamide?
The IUPAC name of 2,4-dimethyl-6-oxo-N,N-dipropylpyran-3-carboxamide (CID 110699323) is 2,4-dimethyl-6-oxo-N,N-dipropylpyran-3-carboxamide.
What is the SMILES notation for 2,4-dimethyl-6-oxo-N,N-dipropylpyran-3-carboxamide?
The canonical SMILES for 2,4-dimethyl-6-oxo-N,N-dipropylpyran-3-carboxamide is CCCN(CCC)C(=O)c1c(C)cc(=O)oc1C.
What is the InChIKey of 2,4-dimethyl-6-oxo-N,N-dipropylpyran-3-carboxamide?
The InChIKey is HCAKQHPPWMFDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-5-7-15(8-6-2)14(17)13-10(3)9-12(16)18-11(13)4/h9H,5-8H2,1-4H3.
What are the key properties of 2,4-dimethyl-6-oxo-N,N-dipropylpyran-3-carboxamide?
2,4-dimethyl-6-oxo-N,N-dipropylpyran-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-oxo-N,N-dipropylpyran-3-carboxamide is sourced from PubChem (CID 110699323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).