N-(4-bromo-3,5-dimethylphenyl)-2-(ethylamino)pyridine-4-carboxamide

C16H18BrN3O — CID 107578271

IUPACN-(4-bromo-3,5-dimethylphenyl)-2-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)Nc2cc(C)c(Br)c(C)c2)ccn1
InChIInChI=1S/C16H18BrN3O/c1-4-18-14-9-12(5-6-19-14)16(21)20-13-7-10(2)15(17)11(3)8-13/h5-9H,4H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyBJUMWQIMISUJQJ-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.15
Rot. Bonds4

About N-(4-bromo-3,5-dimethylphenyl)-2-(ethylamino)pyridine-4-carboxamide

N-(4-bromo-3,5-dimethylphenyl)-2-(ethylamino)pyridine-4-carboxamide (PubChem CID 107578271) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is N-(4-bromo-3,5-dimethylphenyl)-2-(ethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3,5-dimethylphenyl)-2-(ethylamino)pyridine-4-carboxamide
PubChem CID107578271
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC NameN-(4-bromo-3,5-dimethylphenyl)-2-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)Nc2cc(C)c(Br)c(C)c2)ccn1
InChIInChI=1S/C16H18BrN3O/c1-4-18-14-9-12(5-6-19-14)16(21)20-13-7-10(2)15(17)11(3)8-13/h5-9H,4H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyBJUMWQIMISUJQJ-UHFFFAOYSA-N
XLogP4.15
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-N-(4-iodophenyl)pyridine-4-carboxamide
CID 62166650
N-(5-bromo-6-methyl-2-pyridinyl)-2-(ethylamino)pyridine-4-carboxamide
CID 79049066
N-[4-(dimethylamino)phenyl]-2-(ethylamino)pyridine-4-carboxamide
CID 62168755
N-(4-bromo-2,6-difluorophenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 65499839
N-(4-bromo-2,6-dichlorophenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 62166855
2-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-4-carboxamide
CID 62167570
2-(ethylamino)-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide
CID 62184923
N-(4,6-dimethyl-2-pyridinyl)-2-(ethylamino)pyridine-4-carboxamide
CID 115750707
N-(3-chloro-4-fluorophenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 62166984
2-(ethylamino)-N-(2-ethylphenyl)pyridine-4-carboxamide
CID 62165184
N-(4-bromo-3,5-dimethylphenyl)pyridazine-4-carboxamide
CID 106491133
N-(3,5-dimethylphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 62167632

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-2-(ethylamino)pyridine-4-carboxamide?
The IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-2-(ethylamino)pyridine-4-carboxamide (CID 107578271) is N-(4-bromo-3,5-dimethylphenyl)-2-(ethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-3,5-dimethylphenyl)-2-(ethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(4-bromo-3,5-dimethylphenyl)-2-(ethylamino)pyridine-4-carboxamide is CCNc1cc(C(=O)Nc2cc(C)c(Br)c(C)c2)ccn1.
What is the InChIKey of N-(4-bromo-3,5-dimethylphenyl)-2-(ethylamino)pyridine-4-carboxamide?
The InChIKey is BJUMWQIMISUJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-4-18-14-9-12(5-6-19-14)16(21)20-13-7-10(2)15(17)11(3)8-13/h5-9H,4H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of N-(4-bromo-3,5-dimethylphenyl)-2-(ethylamino)pyridine-4-carboxamide?
N-(4-bromo-3,5-dimethylphenyl)-2-(ethylamino)pyridine-4-carboxamide has a molecular weight of 348.24 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3,5-dimethylphenyl)-2-(ethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 107578271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).