N-(5-bromo-2-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide

C15H15BrClN3O — CID 62181788

IUPACN-(5-bromo-2-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)Nc2cc(Br)ccc2C)cc(Cl)n1
InChIInChI=1S/C15H15BrClN3O/c1-3-18-14-7-10(6-13(17)20-14)15(21)19-12-8-11(16)5-4-9(12)2/h4-8H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyBBHGBRNQVDEEBF-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.49
Rot. Bonds4

About N-(5-bromo-2-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide

N-(5-bromo-2-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide (PubChem CID 62181788) has the molecular formula C15H15BrClN3O and a molecular weight of 368.66 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide
PubChem CID62181788
Molecular FormulaC15H15BrClN3O
Molecular Weight368.66 g/mol
Exact Mass367.01
IUPAC NameN-(5-bromo-2-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)Nc2cc(Br)ccc2C)cc(Cl)n1
InChIInChI=1S/C15H15BrClN3O/c1-3-18-14-7-10(6-13(17)20-14)15(21)19-12-8-11(16)5-4-9(12)2/h4-8H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyBBHGBRNQVDEEBF-UHFFFAOYSA-N
XLogP4.49
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(5-bromo-2-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-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

N-(2-bromo-4-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide
CID 62185754
2-amino-N-(5-bromo-2-methylphenyl)-6-chloropyridine-4-carboxamide
CID 62159768
N-(4-bromo-2-ethylphenyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 80999398
2-chloro-6-(ethylamino)-N-pyridin-4-ylpyridine-4-carboxamide
CID 62167550
2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62172199
2-chloro-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 62171489
2-chloro-6-(ethylamino)-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide
CID 107595523
2-chloro-6-(ethylamino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 62171252
2-chloro-6-(ethylamino)-N-(4-fluorophenyl)pyridine-4-carboxamide
CID 62165501
N-(5-bromo-2-methylphenyl)-6-chloropyrazine-2-carboxamide
CID 103337254
5-bromo-N-(5-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 43806322
N-(5-bromo-2-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 43806148

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide (CID 62181788) is N-(5-bromo-2-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide is CCNc1cc(C(=O)Nc2cc(Br)ccc2C)cc(Cl)n1.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide?
The InChIKey is BBHGBRNQVDEEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN3O/c1-3-18-14-7-10(6-13(17)20-14)15(21)19-12-8-11(16)5-4-9(12)2/h4-8H,3H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(5-bromo-2-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide?
N-(5-bromo-2-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide has a molecular weight of 368.66 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 62181788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).