N-(5-tert-butyl-2-methylfuran-3-yl)-2-oxo-2-[4-(pyrimidin-2-ylamino)naphthalen-1-yl]acetamide

C25H24N4O3 — CID 16734625

IUPACN-(5-tert-butyl-2-methylfuran-3-yl)-2-oxo-2-[4-(pyrimidin-2-ylamino)naphthalen-1-yl]acetamide
SMILESCc1oc(C(C)(C)C)cc1NC(=O)C(=O)c1ccc(Nc2ncccn2)c2ccccc12
InChIInChI=1S/C25H24N4O3/c1-15-20(14-21(32-15)25(2,3)4)28-23(31)22(30)18-10-11-19(17-9-6-5-8-16(17)18)29-24-26-12-7-13-27-24/h5-14H,1-4H3,(H,28,31)(H,26,27,29)
InChIKeyAGJZLXCFYIJNLG-UHFFFAOYSA-N
MW428.49 g/mol
LogP5.39
Rot. Bonds5

About N-(5-tert-butyl-2-methylfuran-3-yl)-2-oxo-2-[4-(pyrimidin-2-ylamino)naphthalen-1-yl]acetamide

N-(5-tert-butyl-2-methylfuran-3-yl)-2-oxo-2-[4-(pyrimidin-2-ylamino)naphthalen-1-yl]acetamide (PubChem CID 16734625) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methylfuran-3-yl)-2-oxo-2-[4-(pyrimidin-2-ylamino)naphthalen-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methylfuran-3-yl)-2-oxo-2-[4-(pyrimidin-2-ylamino)naphthalen-1-yl]acetamide
PubChem CID16734625
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC NameN-(5-tert-butyl-2-methylfuran-3-yl)-2-oxo-2-[4-(pyrimidin-2-ylamino)naphthalen-1-yl]acetamide
SMILESCc1oc(C(C)(C)C)cc1NC(=O)C(=O)c1ccc(Nc2ncccn2)c2ccccc12
InChIInChI=1S/C25H24N4O3/c1-15-20(14-21(32-15)25(2,3)4)28-23(31)22(30)18-10-11-19(17-9-6-5-8-16(17)18)29-24-26-12-7-13-27-24/h5-14H,1-4H3,(H,28,31)(H,26,27,29)
InChIKeyAGJZLXCFYIJNLG-UHFFFAOYSA-N
XLogP5.39
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.49
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methylfuran-3-yl)-2-oxo-2-[4-(pyrimidin-2-ylamino)naphthalen-1-yl]acetamide?
The IUPAC name of N-(5-tert-butyl-2-methylfuran-3-yl)-2-oxo-2-[4-(pyrimidin-2-ylamino)naphthalen-1-yl]acetamide (CID 16734625) is N-(5-tert-butyl-2-methylfuran-3-yl)-2-oxo-2-[4-(pyrimidin-2-ylamino)naphthalen-1-yl]acetamide.
What is the SMILES notation for N-(5-tert-butyl-2-methylfuran-3-yl)-2-oxo-2-[4-(pyrimidin-2-ylamino)naphthalen-1-yl]acetamide?
The canonical SMILES for N-(5-tert-butyl-2-methylfuran-3-yl)-2-oxo-2-[4-(pyrimidin-2-ylamino)naphthalen-1-yl]acetamide is Cc1oc(C(C)(C)C)cc1NC(=O)C(=O)c1ccc(Nc2ncccn2)c2ccccc12.
What is the InChIKey of N-(5-tert-butyl-2-methylfuran-3-yl)-2-oxo-2-[4-(pyrimidin-2-ylamino)naphthalen-1-yl]acetamide?
The InChIKey is AGJZLXCFYIJNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-15-20(14-21(32-15)25(2,3)4)28-23(31)22(30)18-10-11-19(17-9-6-5-8-16(17)18)29-24-26-12-7-13-27-24/h5-14H,1-4H3,(H,28,31)(H,26,27,29).
What are the key properties of N-(5-tert-butyl-2-methylfuran-3-yl)-2-oxo-2-[4-(pyrimidin-2-ylamino)naphthalen-1-yl]acetamide?
N-(5-tert-butyl-2-methylfuran-3-yl)-2-oxo-2-[4-(pyrimidin-2-ylamino)naphthalen-1-yl]acetamide has a molecular weight of 428.49 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methylfuran-3-yl)-2-oxo-2-[4-(pyrimidin-2-ylamino)naphthalen-1-yl]acetamide is sourced from PubChem (CID 16734625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).