N-(4-bromo-2-methylphenyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide

C14H13BrN4O3 — CID 32680618

IUPACN-(4-bromo-2-methylphenyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide
SMILESCc1cc(Br)ccc1NC(=O)CNc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C14H13BrN4O3/c1-9-6-10(15)2-4-12(9)18-14(20)8-17-13-5-3-11(7-16-13)19(21)22/h2-7H,8H2,1H3,(H,16,17)(H,18,20)
InChIKeySYMWTALINKYBNX-UHFFFAOYSA-N
MW365.19 g/mol
LogP3.11
Rot. Bonds5

About N-(4-bromo-2-methylphenyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide

N-(4-bromo-2-methylphenyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide (PubChem CID 32680618) has the molecular formula C14H13BrN4O3 and a molecular weight of 365.19 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide
PubChem CID32680618
Molecular FormulaC14H13BrN4O3
Molecular Weight365.19 g/mol
Exact Mass364.02
IUPAC NameN-(4-bromo-2-methylphenyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide
SMILESCc1cc(Br)ccc1NC(=O)CNc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C14H13BrN4O3/c1-9-6-10(15)2-4-12(9)18-14(20)8-17-13-5-3-11(7-16-13)19(21)22/h2-7H,8H2,1H3,(H,16,17)(H,18,20)
InChIKeySYMWTALINKYBNX-UHFFFAOYSA-N
XLogP3.11
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.19
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-bromo-2-methylphenyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-2-methylphenyl)-5-nitropyridin-2-amine
CID 4764031
N-(4-bromo-2-methylphenyl)-2-(2,4-dinitroanilino)acetamide
CID 9185550
2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-(2-methyl-4-nitrophenyl)acetamide
CID 56549281
N-methyl-2-[(5-nitro-2-pyridinyl)amino]acetamide
CID 16960192
N-(4-bromo-2-methylphenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]acetamide
CID 2632099
N-(4-bromo-2-methylphenyl)-2-[(3-nitro-2-pyridinyl)amino]acetamide
CID 9195968
2-[(5-nitro-2-pyridinyl)amino]acetic acid
CID 3798682
N-(4-bromo-2-methylphenyl)-2-[(6-methyl-2-pyridinyl)amino]acetamide
CID 133313355
N-(2-aminoethyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide
CID 39161951
N-(2,4-dimethylphenyl)-2-(4-nitroanilino)acetamide
CID 9082075
3-methyl-2-[[2-[(5-nitro-2-pyridinyl)amino]acetyl]amino]butanoic acid
CID 82032786
2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methyl-4-nitrophenyl)acetamide
CID 24510725

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide (CID 32680618) is N-(4-bromo-2-methylphenyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide is Cc1cc(Br)ccc1NC(=O)CNc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide?
The InChIKey is SYMWTALINKYBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O3/c1-9-6-10(15)2-4-12(9)18-14(20)8-17-13-5-3-11(7-16-13)19(21)22/h2-7H,8H2,1H3,(H,16,17)(H,18,20).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide?
N-(4-bromo-2-methylphenyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide has a molecular weight of 365.19 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide is sourced from PubChem (CID 32680618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).