2-[(5-bromo-3-nitro-2-pyridinyl)amino]-N-propylpropanamide

C11H15BrN4O3 — CID 61480118

IUPAC2-[(5-bromo-3-nitro-2-pyridinyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1ncc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C11H15BrN4O3/c1-3-4-13-11(17)7(2)15-10-9(16(18)19)5-8(12)6-14-10/h5-7H,3-4H2,1-2H3,(H,13,17)(H,14,15)
InChIKeyVNVIIDGZIZBDAT-UHFFFAOYSA-N
MW331.17 g/mol
LogP2.08
Rot. Bonds6

About 2-[(5-bromo-3-nitro-2-pyridinyl)amino]-N-propylpropanamide

2-[(5-bromo-3-nitro-2-pyridinyl)amino]-N-propylpropanamide (PubChem CID 61480118) has the molecular formula C11H15BrN4O3 and a molecular weight of 331.17 g/mol. Its IUPAC name is 2-[(5-bromo-3-nitro-2-pyridinyl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(5-bromo-3-nitro-2-pyridinyl)amino]-N-propylpropanamide
PubChem CID61480118
Molecular FormulaC11H15BrN4O3
Molecular Weight331.17 g/mol
Exact Mass330.03
IUPAC Name2-[(5-bromo-3-nitro-2-pyridinyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1ncc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C11H15BrN4O3/c1-3-4-13-11(17)7(2)15-10-9(16(18)19)5-8(12)6-14-10/h5-7H,3-4H2,1-2H3,(H,13,17)(H,14,15)
InChIKeyVNVIIDGZIZBDAT-UHFFFAOYSA-N
XLogP2.08
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 52.08
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 2-[(5-bromo-3-nitro-2-pyridinyl)amino]-N-propylpropanamide 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

2-[(5-bromo-3-nitro-2-pyridinyl)amino]propanamide
CID 61229226
3-[(5-bromo-3-nitro-2-pyridinyl)amino]butan-1-ol
CID 80708503
4-[(5-bromo-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 80539678
5-bromo-N-[1-(5-methylfuran-2-yl)ethyl]-3-nitropyridin-2-amine
CID 61227487
2-N-(5-bromo-3-nitro-2-pyridinyl)hexane-1,2-diamine
CID 80704072
2-[(3-bromo-5-nitro-2-pyridinyl)amino]-N-ethylpropanamide
CID 79535149
5-bromo-N-(6-methylheptan-2-yl)-3-nitropyridin-2-amine
CID 63463823
5-bromo-3-nitro-N-[(1S)-1-phenylethyl]pyridin-2-amine
CID 94190114
2-[(5-bromopyrimidin-4-yl)amino]-N-propylpropanamide
CID 66340999
3-[(5-bromo-3-nitro-2-pyridinyl)amino]propanoic acid
CID 61229415
4-[(5-bromo-3-nitro-2-pyridinyl)amino]-2,2-dimethylbutanoic acid
CID 114285521
2-(3-methyl-4-nitroanilino)-N-propylpropanamide
CID 60969921

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-nitro-2-pyridinyl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(5-bromo-3-nitro-2-pyridinyl)amino]-N-propylpropanamide (CID 61480118) is 2-[(5-bromo-3-nitro-2-pyridinyl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(5-bromo-3-nitro-2-pyridinyl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(5-bromo-3-nitro-2-pyridinyl)amino]-N-propylpropanamide is CCCNC(=O)C(C)Nc1ncc(Br)cc1[N+](=O)[O-].
What is the InChIKey of 2-[(5-bromo-3-nitro-2-pyridinyl)amino]-N-propylpropanamide?
The InChIKey is VNVIIDGZIZBDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O3/c1-3-4-13-11(17)7(2)15-10-9(16(18)19)5-8(12)6-14-10/h5-7H,3-4H2,1-2H3,(H,13,17)(H,14,15).
What are the key properties of 2-[(5-bromo-3-nitro-2-pyridinyl)amino]-N-propylpropanamide?
2-[(5-bromo-3-nitro-2-pyridinyl)amino]-N-propylpropanamide has a molecular weight of 331.17 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-nitro-2-pyridinyl)amino]-N-propylpropanamide is sourced from PubChem (CID 61480118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).