N-(2-amino-5-chlorophenyl)-3-(2-oxopyrimidin-1-yl)propanamide

C13H13ClN4O2 — CID 16790211

IUPACN-(2-amino-5-chlorophenyl)-3-(2-oxopyrimidin-1-yl)propanamide
SMILESNc1ccc(Cl)cc1NC(=O)CCn1cccnc1=O
InChIInChI=1S/C13H13ClN4O2/c14-9-2-3-10(15)11(8-9)17-12(19)4-7-18-6-1-5-16-13(18)20/h1-3,5-6,8H,4,7,15H2,(H,17,19)
InChIKeyQKIDHYQXTDOGEG-UHFFFAOYSA-N
MW292.73 g/mol
LogP1.51
Rot. Bonds4

About N-(2-amino-5-chlorophenyl)-3-(2-oxopyrimidin-1-yl)propanamide

N-(2-amino-5-chlorophenyl)-3-(2-oxopyrimidin-1-yl)propanamide (PubChem CID 16790211) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-3-(2-oxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-3-(2-oxopyrimidin-1-yl)propanamide
PubChem CID16790211
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC NameN-(2-amino-5-chlorophenyl)-3-(2-oxopyrimidin-1-yl)propanamide
SMILESNc1ccc(Cl)cc1NC(=O)CCn1cccnc1=O
InChIInChI=1S/C13H13ClN4O2/c14-9-2-3-10(15)11(8-9)17-12(19)4-7-18-6-1-5-16-13(18)20/h1-3,5-6,8H,4,7,15H2,(H,17,19)
InChIKeyQKIDHYQXTDOGEG-UHFFFAOYSA-N
XLogP1.51
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-chlorophenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 16786560
N-(2-amino-5-chlorophenyl)-3-(3-ethyl-2-oxoimidazol-1-yl)propanamide
CID 80579081
N-(4-amino-2-methoxyphenyl)-3-(2-oxopyrimidin-1-yl)propanamide
CID 16792339
N-[3-(aminomethyl)phenyl]-3-(2-oxopyrimidin-1-yl)propanamide
CID 16787006
N-(2-amino-5-chlorophenyl)-4-imidazol-1-ylbutanamide
CID 16788832
N-(5-amino-2-methylphenyl)-4-(2-oxopyrimidin-1-yl)butanamide
CID 16788281
N-(2-amino-5-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)acetamide
CID 107779699
N-(2-amino-5-chlorophenyl)-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 28526956
N-(2-amino-5-chlorophenyl)-3-(2-oxopiperidin-1-yl)propanamide
CID 28823865
N-(2-amino-4-chlorophenyl)-3-(6-oxopyridazin-1-yl)propanamide
CID 62850123
N-[2-(aminomethyl)phenyl]-4-(2-oxopyrimidin-1-yl)butanamide
CID 16788872
N-(2-amino-5-chlorophenyl)-4-phenoxybutanamide
CID 28515757

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-3-(2-oxopyrimidin-1-yl)propanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-3-(2-oxopyrimidin-1-yl)propanamide (CID 16790211) is N-(2-amino-5-chlorophenyl)-3-(2-oxopyrimidin-1-yl)propanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-3-(2-oxopyrimidin-1-yl)propanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-3-(2-oxopyrimidin-1-yl)propanamide is Nc1ccc(Cl)cc1NC(=O)CCn1cccnc1=O.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-3-(2-oxopyrimidin-1-yl)propanamide?
The InChIKey is QKIDHYQXTDOGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c14-9-2-3-10(15)11(8-9)17-12(19)4-7-18-6-1-5-16-13(18)20/h1-3,5-6,8H,4,7,15H2,(H,17,19).
What are the key properties of N-(2-amino-5-chlorophenyl)-3-(2-oxopyrimidin-1-yl)propanamide?
N-(2-amino-5-chlorophenyl)-3-(2-oxopyrimidin-1-yl)propanamide has a molecular weight of 292.73 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-3-(2-oxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 16790211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).