5-bromo-N-(2-nitro-5-propylsulfanylphenyl)pyridine-3-carboxamide

C15H14BrN3O3S — CID 4677106

IUPAC5-bromo-N-(2-nitro-5-propylsulfanylphenyl)pyridine-3-carboxamide
SMILESCCCSc1ccc([N+](=O)[O-])c(NC(=O)c2cncc(Br)c2)c1
InChIInChI=1S/C15H14BrN3O3S/c1-2-5-23-12-3-4-14(19(21)22)13(7-12)18-15(20)10-6-11(16)9-17-8-10/h3-4,6-9H,2,5H2,1H3,(H,18,20)
InChIKeyJHPWJODSFWRYRU-UHFFFAOYSA-N
MW396.27 g/mol
LogP4.51
Rot. Bonds6

About 5-bromo-N-(2-nitro-5-propylsulfanylphenyl)pyridine-3-carboxamide

5-bromo-N-(2-nitro-5-propylsulfanylphenyl)pyridine-3-carboxamide (PubChem CID 4677106) has the molecular formula C15H14BrN3O3S and a molecular weight of 396.27 g/mol. Its IUPAC name is 5-bromo-N-(2-nitro-5-propylsulfanylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-nitro-5-propylsulfanylphenyl)pyridine-3-carboxamide
PubChem CID4677106
Molecular FormulaC15H14BrN3O3S
Molecular Weight396.27 g/mol
Exact Mass394.99
IUPAC Name5-bromo-N-(2-nitro-5-propylsulfanylphenyl)pyridine-3-carboxamide
SMILESCCCSc1ccc([N+](=O)[O-])c(NC(=O)c2cncc(Br)c2)c1
InChIInChI=1S/C15H14BrN3O3S/c1-2-5-23-12-3-4-14(19(21)22)13(7-12)18-15(20)10-6-11(16)9-17-8-10/h3-4,6-9H,2,5H2,1H3,(H,18,20)
InChIKeyJHPWJODSFWRYRU-UHFFFAOYSA-N
XLogP4.51
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 54.51
H-Bond Donors ≤ 51
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 5-bromo-N-(2-nitro-5-propylsulfanylphenyl)pyridine-3-carboxamide 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

5-bromo-N-(4-chloro-2-nitrophenyl)pyridine-3-carboxamide
CID 60651825
N-methyl-2-nitro-4-propylsulfanylaniline
CID 91622419
5-bromo-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-carboxamide
CID 27883856
5-bromo-N-(5-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 43806322
4-bromo-N-[3-[(4-bromobenzoyl)amino]-4-nitrophenyl]benzamide
CID 3458872
3-bromo-N-[3-[(3-bromobenzoyl)amino]-4-nitrophenyl]benzamide
CID 3611038
3-bromo-5-chloro-N-(5-chloro-2-nitrophenyl)benzamide
CID 107951900
N-(3-bromo-4-nitrophenyl)-5-hydroxypyridine-3-carboxamide
CID 82864638
5-bromo-N-(4-morpholin-4-yl-3-nitrophenyl)pyridine-3-carboxamide
CID 17127152
5-bromo-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide
CID 26881964
5-bromo-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 6899822
5-bromo-N-[(4-methoxy-3-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 3359702

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-nitro-5-propylsulfanylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-nitro-5-propylsulfanylphenyl)pyridine-3-carboxamide (CID 4677106) is 5-bromo-N-(2-nitro-5-propylsulfanylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-nitro-5-propylsulfanylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-nitro-5-propylsulfanylphenyl)pyridine-3-carboxamide is CCCSc1ccc([N+](=O)[O-])c(NC(=O)c2cncc(Br)c2)c1.
What is the InChIKey of 5-bromo-N-(2-nitro-5-propylsulfanylphenyl)pyridine-3-carboxamide?
The InChIKey is JHPWJODSFWRYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O3S/c1-2-5-23-12-3-4-14(19(21)22)13(7-12)18-15(20)10-6-11(16)9-17-8-10/h3-4,6-9H,2,5H2,1H3,(H,18,20).
What are the key properties of 5-bromo-N-(2-nitro-5-propylsulfanylphenyl)pyridine-3-carboxamide?
5-bromo-N-(2-nitro-5-propylsulfanylphenyl)pyridine-3-carboxamide has a molecular weight of 396.27 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-nitro-5-propylsulfanylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 4677106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).