N-(4-bromo-2-ethylphenyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide

C15H15BrClN3O — CID 80999398

IUPACN-(4-bromo-2-ethylphenyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
SMILESCCc1cc(Br)ccc1NC(=O)c1cc(Cl)nc(NC)c1
InChIInChI=1S/C15H15BrClN3O/c1-3-9-6-11(16)4-5-12(9)19-15(21)10-7-13(17)20-14(8-10)18-2/h4-8H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyAGUSVNCANXDCND-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.35
Rot. Bonds4

About N-(4-bromo-2-ethylphenyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide

N-(4-bromo-2-ethylphenyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide (PubChem CID 80999398) has the molecular formula C15H15BrClN3O and a molecular weight of 368.66 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
PubChem CID80999398
Molecular FormulaC15H15BrClN3O
Molecular Weight368.66 g/mol
Exact Mass367.01
IUPAC NameN-(4-bromo-2-ethylphenyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
SMILESCCc1cc(Br)ccc1NC(=O)c1cc(Cl)nc(NC)c1
InChIInChI=1S/C15H15BrClN3O/c1-3-9-6-11(16)4-5-12(9)19-15(21)10-7-13(17)20-14(8-10)18-2/h4-8H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyAGUSVNCANXDCND-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
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-(4-bromo-2-ethylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 81287386
N-(5-bromo-2-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide
CID 62181788
2-chloro-N-[2-(methoxymethyl)phenyl]-6-(methylamino)pyridine-4-carboxamide
CID 62178501
3-amino-N-(4-bromo-2-ethylphenyl)-4,5-dichlorobenzamide
CID 81289576
2,6-dichloro-N-(2-ethylphenyl)pyridine-4-carboxamide
CID 26208762
2-chloro-N-(2-methoxyphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 62185758
2-chloro-N-(2,3-dimethylphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 62166263
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 79048306
2-chloro-6-(methylamino)-N-phenylpyridine-4-carboxamide
CID 55042308
N-(4-bromo-2-ethylphenyl)-2H-triazole-4-carboxamide
CID 81003417
N-(4-bromo-2-ethylphenyl)-3-hydroxy-4-iodobenzamide
CID 104629754
2-chloro-N-(3-chloro-2-fluorophenyl)-6-(methylamino)pyridine-4-carboxamide
CID 62166988

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide (CID 80999398) is N-(4-bromo-2-ethylphenyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide is CCc1cc(Br)ccc1NC(=O)c1cc(Cl)nc(NC)c1.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide?
The InChIKey is AGUSVNCANXDCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN3O/c1-3-9-6-11(16)4-5-12(9)19-15(21)10-7-13(17)20-14(8-10)18-2/h4-8H,3H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(4-bromo-2-ethylphenyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide?
N-(4-bromo-2-ethylphenyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide has a molecular weight of 368.66 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 80999398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).