N-(2-aminophenyl)-4-(2,4-dioxopyrimidin-1-yl)butanamide

C14H16N4O3 — CID 28945204

IUPACN-(2-aminophenyl)-4-(2,4-dioxopyrimidin-1-yl)butanamide
SMILESNc1ccccc1NC(=O)CCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C14H16N4O3/c15-10-4-1-2-5-11(10)16-12(19)6-3-8-18-9-7-13(20)17-14(18)21/h1-2,4-5,7,9H,3,6,8,15H2,(H,16,19)(H,17,20,21)
InChIKeyOLYUMIVTAJUICR-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.54
Rot. Bonds5

About N-(2-aminophenyl)-4-(2,4-dioxopyrimidin-1-yl)butanamide

N-(2-aminophenyl)-4-(2,4-dioxopyrimidin-1-yl)butanamide (PubChem CID 28945204) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-(2,4-dioxopyrimidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-(2,4-dioxopyrimidin-1-yl)butanamide
PubChem CID28945204
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-(2-aminophenyl)-4-(2,4-dioxopyrimidin-1-yl)butanamide
SMILESNc1ccccc1NC(=O)CCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C14H16N4O3/c15-10-4-1-2-5-11(10)16-12(19)6-3-8-18-9-7-13(20)17-14(18)21/h1-2,4-5,7,9H,3,6,8,15H2,(H,16,19)(H,17,20,21)
InChIKeyOLYUMIVTAJUICR-UHFFFAOYSA-N
XLogP0.54
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-5-(3-methyl-2-oxo-1-pyridinyl)pentanamide
CID 82031878
N-(2-aminophenyl)-4-(2-cyanopyrrol-1-yl)butanamide
CID 114650377
ethyl 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]benzoate
CID 108788630
N-(2-aminophenyl)-3-(5-chloro-2,4-dioxopyrimidin-1-yl)propanamide
CID 66423760
4-(2,4-dioxopyrimidin-1-yl)butanoate
CID 6954146
[2-(2-methoxyanilino)-2-oxoethyl] 3-(2,4-dioxopyrimidin-1-yl)propanoate
CID 90480546
N-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 58982081
N-(4-chloro-2-methylphenyl)-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 108801689
N-(2-aminophenyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide
CID 16790022
N-[3-(2,4-dioxopyrimidin-1-yl)propyl]-2-(prop-2-enoylamino)benzamide
CID 166420601
N-(2-aminophenyl)-5-methoxypentanamide
CID 119422437
N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride
CID 119422032

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-(2,4-dioxopyrimidin-1-yl)butanamide?
The IUPAC name of N-(2-aminophenyl)-4-(2,4-dioxopyrimidin-1-yl)butanamide (CID 28945204) is N-(2-aminophenyl)-4-(2,4-dioxopyrimidin-1-yl)butanamide.
What is the SMILES notation for N-(2-aminophenyl)-4-(2,4-dioxopyrimidin-1-yl)butanamide?
The canonical SMILES for N-(2-aminophenyl)-4-(2,4-dioxopyrimidin-1-yl)butanamide is Nc1ccccc1NC(=O)CCCn1ccc(=O)[nH]c1=O.
What is the InChIKey of N-(2-aminophenyl)-4-(2,4-dioxopyrimidin-1-yl)butanamide?
The InChIKey is OLYUMIVTAJUICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c15-10-4-1-2-5-11(10)16-12(19)6-3-8-18-9-7-13(20)17-14(18)21/h1-2,4-5,7,9H,3,6,8,15H2,(H,16,19)(H,17,20,21).
What are the key properties of N-(2-aminophenyl)-4-(2,4-dioxopyrimidin-1-yl)butanamide?
N-(2-aminophenyl)-4-(2,4-dioxopyrimidin-1-yl)butanamide has a molecular weight of 288.31 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-(2,4-dioxopyrimidin-1-yl)butanamide is sourced from PubChem (CID 28945204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).