N-(2-cyanoethyl)-2-(2-oxopyrimidin-1-yl)acetamide

C9H10N4O2 — CID 115580749

IUPACN-(2-cyanoethyl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESN#CCCNC(=O)Cn1cccnc1=O
InChIInChI=1S/C9H10N4O2/c10-3-1-4-11-8(14)7-13-6-2-5-12-9(13)15/h2,5-6H,1,4,7H2,(H,11,14)
InChIKeyBVCCXXOJONPDID-UHFFFAOYSA-N
MW206.20 g/mol
LogP-0.73
Rot. Bonds4

About N-(2-cyanoethyl)-2-(2-oxopyrimidin-1-yl)acetamide

N-(2-cyanoethyl)-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 115580749) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID115580749
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC NameN-(2-cyanoethyl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESN#CCCNC(=O)Cn1cccnc1=O
InChIInChI=1S/C9H10N4O2/c10-3-1-4-11-8(14)7-13-6-2-5-12-9(13)15/h2,5-6H,1,4,7H2,(H,11,14)
InChIKeyBVCCXXOJONPDID-UHFFFAOYSA-N
XLogP-0.73
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
CID 116621485
N-[(4-hydroxyoxan-4-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 79039361
N-(2-ethylbutyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 113232058
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 80717220
N-(3-cyclopentyloxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 49047645
2-[2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375434
2-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-(2-cyanoethyl)acetamide
CID 62223247
N-(3-methylphenyl)-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanamide
CID 131927376
2-(2-oxopyrimidin-1-yl)-N-pyridin-4-ylacetamide
CID 39954106
2-methoxy-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 106107921
N-(2-cyanoethyl)-2-(3-cyano-1,2,4-triazol-4-yl)acetamide
CID 47138375
N-(1-hydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 43428142

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(2-oxopyrimidin-1-yl)acetamide (CID 115580749) is N-(2-cyanoethyl)-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(2-oxopyrimidin-1-yl)acetamide is N#CCCNC(=O)Cn1cccnc1=O.
What is the InChIKey of N-(2-cyanoethyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is BVCCXXOJONPDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c10-3-1-4-11-8(14)7-13-6-2-5-12-9(13)15/h2,5-6H,1,4,7H2,(H,11,14).
What are the key properties of N-(2-cyanoethyl)-2-(2-oxopyrimidin-1-yl)acetamide?
N-(2-cyanoethyl)-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 206.20 g/mol, XLogP of -0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 115580749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).