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

C15H16BrN3O — CID 82758471

IUPACN-(2-bromo-5-methylphenyl)-6-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1cccc(C(=O)Nc2cc(C)ccc2Br)n1
InChIInChI=1S/C15H16BrN3O/c1-3-17-14-6-4-5-12(18-14)15(20)19-13-9-10(2)7-8-11(13)16/h4-9H,3H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyBKKCCYKMIFXAPI-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.84
Rot. Bonds4

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

N-(2-bromo-5-methylphenyl)-6-(ethylamino)pyridine-2-carboxamide (PubChem CID 82758471) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-6-(ethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-6-(ethylamino)pyridine-2-carboxamide
PubChem CID82758471
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC NameN-(2-bromo-5-methylphenyl)-6-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1cccc(C(=O)Nc2cc(C)ccc2Br)n1
InChIInChI=1S/C15H16BrN3O/c1-3-17-14-6-4-5-12(18-14)15(20)19-13-9-10(2)7-8-11(13)16/h4-9H,3H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyBKKCCYKMIFXAPI-UHFFFAOYSA-N
XLogP3.84
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-5-methylphenyl)-6-(propylamino)pyridine-2-carboxamide
CID 82750044
N-(2,5-dimethylphenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62239617
N-(2-bromo-4-methylphenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62239243
N-(2-bromo-5-chlorophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 81255728
6-(ethylamino)-N-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide
CID 62238932
6-(ethylamino)-N-(2-ethylphenyl)pyridine-2-carboxamide
CID 62240641
N-(5-bromo-2-cyanophenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 107801225
6-(ethylamino)-N-(2-propylphenyl)pyridine-2-carboxamide
CID 62238666
N-(2,5-dimethylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62239438
N-(3-chlorophenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62238582
6-(ethylamino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 62239408
N-(3,5-difluorophenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62239278

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-6-(ethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2-bromo-5-methylphenyl)-6-(ethylamino)pyridine-2-carboxamide (CID 82758471) is N-(2-bromo-5-methylphenyl)-6-(ethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-6-(ethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-6-(ethylamino)pyridine-2-carboxamide is CCNc1cccc(C(=O)Nc2cc(C)ccc2Br)n1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-6-(ethylamino)pyridine-2-carboxamide?
The InChIKey is BKKCCYKMIFXAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-3-17-14-6-4-5-12(18-14)15(20)19-13-9-10(2)7-8-11(13)16/h4-9H,3H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of N-(2-bromo-5-methylphenyl)-6-(ethylamino)pyridine-2-carboxamide?
N-(2-bromo-5-methylphenyl)-6-(ethylamino)pyridine-2-carboxamide has a molecular weight of 334.22 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methylphenyl)-6-(ethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 82758471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).