N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide

C17H20N4O3 — CID 46304609

IUPACN-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide
SMILESCCC(C(=O)Nc1oc(C)c(C)c1C#N)n1c(C)cc(C)nc1=O
InChIInChI=1S/C17H20N4O3/c1-6-14(21-10(3)7-9(2)19-17(21)23)15(22)20-16-13(8-18)11(4)12(5)24-16/h7,14H,6H2,1-5H3,(H,20,22)
InChIKeyDPTIMYWTXCSTDD-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.53
Rot. Bonds4

About N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide

N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide (PubChem CID 46304609) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide
PubChem CID46304609
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide
SMILESCCC(C(=O)Nc1oc(C)c(C)c1C#N)n1c(C)cc(C)nc1=O
InChIInChI=1S/C17H20N4O3/c1-6-14(21-10(3)7-9(2)19-17(21)23)15(22)20-16-13(8-18)11(4)12(5)24-16/h7,14H,6H2,1-5H3,(H,20,22)
InChIKeyDPTIMYWTXCSTDD-UHFFFAOYSA-N
XLogP2.53
TPSA100.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide?
The IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide (CID 46304609) is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide is CCC(C(=O)Nc1oc(C)c(C)c1C#N)n1c(C)cc(C)nc1=O.
What is the InChIKey of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide?
The InChIKey is DPTIMYWTXCSTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-6-14(21-10(3)7-9(2)19-17(21)23)15(22)20-16-13(8-18)11(4)12(5)24-16/h7,14H,6H2,1-5H3,(H,20,22).
What are the key properties of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide?
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide has a molecular weight of 328.37 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide is sourced from PubChem (CID 46304609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).