2-[4-(2,4-dioxo-1H-pteridin-3-yl)phenyl]-N-(naphthalen-1-ylmethyl)acetamide

C25H19N5O3 — CID 101254839

IUPAC2-[4-(2,4-dioxo-1H-pteridin-3-yl)phenyl]-N-(naphthalen-1-ylmethyl)acetamide
SMILESO=C(Cc1ccc(-n2c(=O)[nH]c3nccnc3c2=O)cc1)NCc1cccc2ccccc12
InChIInChI=1S/C25H19N5O3/c31-21(28-15-18-6-3-5-17-4-1-2-7-20(17)18)14-16-8-10-19(11-9-16)30-24(32)22-23(29-25(30)33)27-13-12-26-22/h1-13H,14-15H2,(H,28,31)(H,27,29,33)
InChIKeyBLRRCZRISLAYGD-UHFFFAOYSA-N
MW437.46 g/mol
LogP2.48
Rot. Bonds5

About 2-[4-(2,4-dioxo-1H-pteridin-3-yl)phenyl]-N-(naphthalen-1-ylmethyl)acetamide

2-[4-(2,4-dioxo-1H-pteridin-3-yl)phenyl]-N-(naphthalen-1-ylmethyl)acetamide (PubChem CID 101254839) has the molecular formula C25H19N5O3 and a molecular weight of 437.46 g/mol. Its IUPAC name is 2-[4-(2,4-dioxo-1H-pteridin-3-yl)phenyl]-N-(naphthalen-1-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(2,4-dioxo-1H-pteridin-3-yl)phenyl]-N-(naphthalen-1-ylmethyl)acetamide
PubChem CID101254839
Molecular FormulaC25H19N5O3
Molecular Weight437.46 g/mol
Exact Mass437.15
IUPAC Name2-[4-(2,4-dioxo-1H-pteridin-3-yl)phenyl]-N-(naphthalen-1-ylmethyl)acetamide
SMILESO=C(Cc1ccc(-n2c(=O)[nH]c3nccnc3c2=O)cc1)NCc1cccc2ccccc12
InChIInChI=1S/C25H19N5O3/c31-21(28-15-18-6-3-5-17-4-1-2-7-20(17)18)14-16-8-10-19(11-9-16)30-24(32)22-23(29-25(30)33)27-13-12-26-22/h1-13H,14-15H2,(H,28,31)(H,27,29,33)
InChIKeyBLRRCZRISLAYGD-UHFFFAOYSA-N
XLogP2.48
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dioxo-1H-pteridin-3-yl)phenyl]-N-(naphthalen-1-ylmethyl)acetamide?
The IUPAC name of 2-[4-(2,4-dioxo-1H-pteridin-3-yl)phenyl]-N-(naphthalen-1-ylmethyl)acetamide (CID 101254839) is 2-[4-(2,4-dioxo-1H-pteridin-3-yl)phenyl]-N-(naphthalen-1-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(2,4-dioxo-1H-pteridin-3-yl)phenyl]-N-(naphthalen-1-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(2,4-dioxo-1H-pteridin-3-yl)phenyl]-N-(naphthalen-1-ylmethyl)acetamide is O=C(Cc1ccc(-n2c(=O)[nH]c3nccnc3c2=O)cc1)NCc1cccc2ccccc12.
What is the InChIKey of 2-[4-(2,4-dioxo-1H-pteridin-3-yl)phenyl]-N-(naphthalen-1-ylmethyl)acetamide?
The InChIKey is BLRRCZRISLAYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O3/c31-21(28-15-18-6-3-5-17-4-1-2-7-20(17)18)14-16-8-10-19(11-9-16)30-24(32)22-23(29-25(30)33)27-13-12-26-22/h1-13H,14-15H2,(H,28,31)(H,27,29,33).
What are the key properties of 2-[4-(2,4-dioxo-1H-pteridin-3-yl)phenyl]-N-(naphthalen-1-ylmethyl)acetamide?
2-[4-(2,4-dioxo-1H-pteridin-3-yl)phenyl]-N-(naphthalen-1-ylmethyl)acetamide has a molecular weight of 437.46 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dioxo-1H-pteridin-3-yl)phenyl]-N-(naphthalen-1-ylmethyl)acetamide is sourced from PubChem (CID 101254839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).