N-(4-aminophenyl)-4-(3-bromo-2-oxo-1-pyridinyl)butanamide

C15H16BrN3O2 — CID 114760151

IUPACN-(4-aminophenyl)-4-(3-bromo-2-oxo-1-pyridinyl)butanamide
SMILESNc1ccc(NC(=O)CCCn2cccc(Br)c2=O)cc1
InChIInChI=1S/C15H16BrN3O2/c16-13-3-1-9-19(15(13)21)10-2-4-14(20)18-12-7-5-11(17)6-8-12/h1,3,5-9H,2,4,10,17H2,(H,18,20)
InChIKeyCRXJTWIPMPPRIN-UHFFFAOYSA-N
MW350.22 g/mol
LogP2.61
Rot. Bonds5

About N-(4-aminophenyl)-4-(3-bromo-2-oxo-1-pyridinyl)butanamide

N-(4-aminophenyl)-4-(3-bromo-2-oxo-1-pyridinyl)butanamide (PubChem CID 114760151) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is N-(4-aminophenyl)-4-(3-bromo-2-oxo-1-pyridinyl)butanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-4-(3-bromo-2-oxo-1-pyridinyl)butanamide
PubChem CID114760151
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC NameN-(4-aminophenyl)-4-(3-bromo-2-oxo-1-pyridinyl)butanamide
SMILESNc1ccc(NC(=O)CCCn2cccc(Br)c2=O)cc1
InChIInChI=1S/C15H16BrN3O2/c16-13-3-1-9-19(15(13)21)10-2-4-14(20)18-12-7-5-11(17)6-8-12/h1,3,5-9H,2,4,10,17H2,(H,18,20)
InChIKeyCRXJTWIPMPPRIN-UHFFFAOYSA-N
XLogP2.61
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(3-bromo-2-oxo-1-pyridinyl)butanehydrazide
CID 114761608
N-(4-amino-2-chlorophenyl)-3-(3-bromo-2-oxo-1-pyridinyl)propanamide
CID 114760129
N-(5-amino-2-methylphenyl)-3-(3-bromo-2-oxo-1-pyridinyl)propanamide
CID 114760027
3-bromo-1-(4-oxo-4-phenylbutyl)pyridin-2-one
CID 114760572
N-(4-aminophenyl)-4-(3,5-dioxomorpholin-4-yl)butanamide
CID 61312691
N-(4-aminophenyl)-4-(2-ethylimidazol-1-yl)butanamide
CID 61402347
4-amino-N-(4-aminophenyl)butanamide
CID 90105668
N-(4-aminophenyl)-4-morpholin-4-ylbutanamide
CID 16779642
N-(2-aminophenyl)-2-(3-bromo-2-oxo-1-pyridinyl)acetamide
CID 114760013
N-(4-aminophenyl)-3-indol-1-ylpropanamide
CID 43247263
1-[(4-amino-2-bromophenyl)methyl]-3-bromopyridin-2-one
CID 114760067
1-[2-(4-aminopyrazol-1-yl)ethyl]-3-bromopyridin-2-one
CID 114760038

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-4-(3-bromo-2-oxo-1-pyridinyl)butanamide?
The IUPAC name of N-(4-aminophenyl)-4-(3-bromo-2-oxo-1-pyridinyl)butanamide (CID 114760151) is N-(4-aminophenyl)-4-(3-bromo-2-oxo-1-pyridinyl)butanamide.
What is the SMILES notation for N-(4-aminophenyl)-4-(3-bromo-2-oxo-1-pyridinyl)butanamide?
The canonical SMILES for N-(4-aminophenyl)-4-(3-bromo-2-oxo-1-pyridinyl)butanamide is Nc1ccc(NC(=O)CCCn2cccc(Br)c2=O)cc1.
What is the InChIKey of N-(4-aminophenyl)-4-(3-bromo-2-oxo-1-pyridinyl)butanamide?
The InChIKey is CRXJTWIPMPPRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c16-13-3-1-9-19(15(13)21)10-2-4-14(20)18-12-7-5-11(17)6-8-12/h1,3,5-9H,2,4,10,17H2,(H,18,20).
What are the key properties of N-(4-aminophenyl)-4-(3-bromo-2-oxo-1-pyridinyl)butanamide?
N-(4-aminophenyl)-4-(3-bromo-2-oxo-1-pyridinyl)butanamide has a molecular weight of 350.22 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-4-(3-bromo-2-oxo-1-pyridinyl)butanamide is sourced from PubChem (CID 114760151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).