N-(5-amino-2-methylphenyl)-3-(3-bromo-2-oxo-1-pyridinyl)propanamide

C15H16BrN3O2 — CID 114760027

IUPACN-(5-amino-2-methylphenyl)-3-(3-bromo-2-oxo-1-pyridinyl)propanamide
SMILESCc1ccc(N)cc1NC(=O)CCn1cccc(Br)c1=O
InChIInChI=1S/C15H16BrN3O2/c1-10-4-5-11(17)9-13(10)18-14(20)6-8-19-7-2-3-12(16)15(19)21/h2-5,7,9H,6,8,17H2,1H3,(H,18,20)
InChIKeyNBAGEHHCWPAWKF-UHFFFAOYSA-N
MW350.22 g/mol
LogP2.53
Rot. Bonds4

About N-(5-amino-2-methylphenyl)-3-(3-bromo-2-oxo-1-pyridinyl)propanamide

N-(5-amino-2-methylphenyl)-3-(3-bromo-2-oxo-1-pyridinyl)propanamide (PubChem CID 114760027) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-(3-bromo-2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-(3-bromo-2-oxo-1-pyridinyl)propanamide
PubChem CID114760027
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC NameN-(5-amino-2-methylphenyl)-3-(3-bromo-2-oxo-1-pyridinyl)propanamide
SMILESCc1ccc(N)cc1NC(=O)CCn1cccc(Br)c1=O
InChIInChI=1S/C15H16BrN3O2/c1-10-4-5-11(17)9-13(10)18-14(20)6-8-19-7-2-3-12(16)15(19)21/h2-5,7,9H,6,8,17H2,1H3,(H,18,20)
InChIKeyNBAGEHHCWPAWKF-UHFFFAOYSA-N
XLogP2.53
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-chlorophenyl)-3-(3-bromo-2-oxo-1-pyridinyl)propanamide
CID 114760129
N-(4-aminophenyl)-4-(3-bromo-2-oxo-1-pyridinyl)butanamide
CID 114760151
N-(5-amino-2-methylphenyl)-4-(2-oxopyrimidin-1-yl)butanamide
CID 16788281
N-(3-aminophenyl)-3-(3-methyl-2-oxo-1-pyridinyl)propanamide
CID 63172233
2-(3-bromo-2-oxo-1-pyridinyl)-N-(2-methylphenyl)acetamide
CID 114760909
N-(5-amino-2-methylphenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide
CID 43447503
N-(5-amino-2-methylphenyl)-2-(2,6-dibromophenoxy)acetamide
CID 29295025
N-(5-amino-2-methylphenyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 63312901
N-(5-amino-2-methylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide
CID 16794289
N-(5-amino-2-methylphenyl)-3-propan-2-yloxypropanamide;hydrochloride
CID 120568425
N-(5-amino-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 16786199
N-(5-amino-2-methylphenyl)-3-(4-methyl-3-oxopiperazin-1-yl)propanamide
CID 64681109

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-(3-bromo-2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-(3-bromo-2-oxo-1-pyridinyl)propanamide (CID 114760027) is N-(5-amino-2-methylphenyl)-3-(3-bromo-2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-(3-bromo-2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-(3-bromo-2-oxo-1-pyridinyl)propanamide is Cc1ccc(N)cc1NC(=O)CCn1cccc(Br)c1=O.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-(3-bromo-2-oxo-1-pyridinyl)propanamide?
The InChIKey is NBAGEHHCWPAWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c1-10-4-5-11(17)9-13(10)18-14(20)6-8-19-7-2-3-12(16)15(19)21/h2-5,7,9H,6,8,17H2,1H3,(H,18,20).
What are the key properties of N-(5-amino-2-methylphenyl)-3-(3-bromo-2-oxo-1-pyridinyl)propanamide?
N-(5-amino-2-methylphenyl)-3-(3-bromo-2-oxo-1-pyridinyl)propanamide has a molecular weight of 350.22 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-3-(3-bromo-2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 114760027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).