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

C15H15BrClN3O — CID 62185754

IUPACN-(2-bromo-4-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)Nc2ccc(C)cc2Br)cc(Cl)n1
InChIInChI=1S/C15H15BrClN3O/c1-3-18-14-8-10(7-13(17)20-14)15(21)19-12-5-4-9(2)6-11(12)16/h4-8H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyGVIILMUPTOEQKA-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.49
Rot. Bonds4

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

N-(2-bromo-4-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide (PubChem CID 62185754) has the molecular formula C15H15BrClN3O and a molecular weight of 368.66 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide
PubChem CID62185754
Molecular FormulaC15H15BrClN3O
Molecular Weight368.66 g/mol
Exact Mass367.01
IUPAC NameN-(2-bromo-4-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)Nc2ccc(C)cc2Br)cc(Cl)n1
InChIInChI=1S/C15H15BrClN3O/c1-3-18-14-8-10(7-13(17)20-14)15(21)19-12-5-4-9(2)6-11(12)16/h4-8H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyGVIILMUPTOEQKA-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'}

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Related Compounds

N-(5-bromo-2-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide
CID 62181788
2-chloro-6-(ethylamino)-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide
CID 107595523
N-(2-bromo-4-methylphenyl)-3,5-dichlorobenzamide
CID 4271620
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-methylbutan-2-yl)pyridine-4-carboxamide
CID 62165976
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-(2-chloro-4-methylphenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 62165610
N-(2-bromo-4-methylphenyl)-4-ethylbenzamide
CID 2547142
N-(4-bromo-2-ethylphenyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 80999398

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide (CID 62185754) is N-(2-bromo-4-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide is CCNc1cc(C(=O)Nc2ccc(C)cc2Br)cc(Cl)n1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide?
The InChIKey is GVIILMUPTOEQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN3O/c1-3-18-14-8-10(7-13(17)20-14)15(21)19-12-5-4-9(2)6-11(12)16/h4-8H,3H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide?
N-(2-bromo-4-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-(2-bromo-4-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 62185754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).