N-(6-formyl-4-oxo-4aH-pteridin-2-yl)acetamide

C9H7N5O3 — CID 78177343

IUPACN-(6-formyl-4-oxo-4aH-pteridin-2-yl)acetamide
SMILESCC(=O)NC1=NC(=O)C2N=C(C=O)C=NC2=N1
InChIInChI=1S/C9H7N5O3/c1-4(16)11-9-13-7-6(8(17)14-9)12-5(3-15)2-10-7/h2-3,6H,1H3,(H,11,14,16,17)
InChIKeyBCOOTZIZLDLXMJ-UHFFFAOYSA-N
MW233.19 g/mol
LogP-1.49
Rot. Bonds1

About N-(6-formyl-4-oxo-4aH-pteridin-2-yl)acetamide

N-(6-formyl-4-oxo-4aH-pteridin-2-yl)acetamide (PubChem CID 78177343) has the molecular formula C9H7N5O3 and a molecular weight of 233.19 g/mol. Its IUPAC name is N-(6-formyl-4-oxo-4aH-pteridin-2-yl)acetamide.

Molecular Properties

Compound NameN-(6-formyl-4-oxo-4aH-pteridin-2-yl)acetamide
PubChem CID78177343
Molecular FormulaC9H7N5O3
Molecular Weight233.19 g/mol
Exact Mass233.05
IUPAC NameN-(6-formyl-4-oxo-4aH-pteridin-2-yl)acetamide
SMILESCC(=O)NC1=NC(=O)C2N=C(C=O)C=NC2=N1
InChIInChI=1S/C9H7N5O3/c1-4(16)11-9-13-7-6(8(17)14-9)12-5(3-15)2-10-7/h2-3,6H,1H3,(H,11,14,16,17)
InChIKeyBCOOTZIZLDLXMJ-UHFFFAOYSA-N
XLogP-1.49
TPSA112.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 5-1.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(6R)-2-amino-4-oxo-6,7-dihydro-3H-pteridine-6-carbaldehyde
CID 135566268
2-amino-4-oxo-4a,8a-dihydro-3H-pteridine-6-carbaldehyde
CID 10442585
2-methylimino-4aH-pteridin-4-one
CID 135755319
2-imino-6-methyl-4aH-pteridin-4-one
CID 137699400
2-imino-4-oxo-4aH-pteridine-6-carbaldehyde
CID 156592375
7-ethyl-2-imino-4aH-pteridin-4-one
CID 156595026

Frequently Asked Questions

What is the IUPAC name of N-(6-formyl-4-oxo-4aH-pteridin-2-yl)acetamide?
The IUPAC name of N-(6-formyl-4-oxo-4aH-pteridin-2-yl)acetamide (CID 78177343) is N-(6-formyl-4-oxo-4aH-pteridin-2-yl)acetamide.
What is the SMILES notation for N-(6-formyl-4-oxo-4aH-pteridin-2-yl)acetamide?
The canonical SMILES for N-(6-formyl-4-oxo-4aH-pteridin-2-yl)acetamide is CC(=O)NC1=NC(=O)C2N=C(C=O)C=NC2=N1.
What is the InChIKey of N-(6-formyl-4-oxo-4aH-pteridin-2-yl)acetamide?
The InChIKey is BCOOTZIZLDLXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O3/c1-4(16)11-9-13-7-6(8(17)14-9)12-5(3-15)2-10-7/h2-3,6H,1H3,(H,11,14,16,17).
What are the key properties of N-(6-formyl-4-oxo-4aH-pteridin-2-yl)acetamide?
N-(6-formyl-4-oxo-4aH-pteridin-2-yl)acetamide has a molecular weight of 233.19 g/mol, XLogP of -1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-formyl-4-oxo-4aH-pteridin-2-yl)acetamide is sourced from PubChem (CID 78177343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).