N-(4-bromo-2-methylphenyl)-6-(3-methylbutylamino)pyridine-3-carboxamide

C18H22BrN3O — CID 109161206

IUPACN-(4-bromo-2-methylphenyl)-6-(3-methylbutylamino)pyridine-3-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1ccc(NCCC(C)C)nc1
InChIInChI=1S/C18H22BrN3O/c1-12(2)8-9-20-17-7-4-14(11-21-17)18(23)22-16-6-5-15(19)10-13(16)3/h4-7,10-12H,8-9H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyOXROOPYKBKUZHS-UHFFFAOYSA-N
MW376.30 g/mol
LogP4.86
Rot. Bonds6

About N-(4-bromo-2-methylphenyl)-6-(3-methylbutylamino)pyridine-3-carboxamide

N-(4-bromo-2-methylphenyl)-6-(3-methylbutylamino)pyridine-3-carboxamide (PubChem CID 109161206) has the molecular formula C18H22BrN3O and a molecular weight of 376.30 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-6-(3-methylbutylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-6-(3-methylbutylamino)pyridine-3-carboxamide
PubChem CID109161206
Molecular FormulaC18H22BrN3O
Molecular Weight376.30 g/mol
Exact Mass375.09
IUPAC NameN-(4-bromo-2-methylphenyl)-6-(3-methylbutylamino)pyridine-3-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1ccc(NCCC(C)C)nc1
InChIInChI=1S/C18H22BrN3O/c1-12(2)8-9-20-17-7-4-14(11-21-17)18(23)22-16-6-5-15(19)10-13(16)3/h4-7,10-12H,8-9H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyOXROOPYKBKUZHS-UHFFFAOYSA-N
XLogP4.86
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-methylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195688
6-amino-N-(4-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 62151975
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(3-methylbutylamino)pyridine-3-carboxamide
CID 109161212
6-(3-methylbutylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109161164
N-(4-chloro-2,5-dimethoxyphenyl)-6-(3-methylbutylamino)pyridine-3-carboxamide
CID 109161219
4-N-(4-bromo-2-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043990
N-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide
CID 789005
N-(4-bromo-2-methylphenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
CID 109252001
6-(butylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide
CID 109151666
6-(3-methylbutylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109161183
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
N-benzyl-6-(3-methylbutylamino)pyridine-3-carboxamide
CID 109155596

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-6-(3-methylbutylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-6-(3-methylbutylamino)pyridine-3-carboxamide (CID 109161206) is N-(4-bromo-2-methylphenyl)-6-(3-methylbutylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-6-(3-methylbutylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-6-(3-methylbutylamino)pyridine-3-carboxamide is Cc1cc(Br)ccc1NC(=O)c1ccc(NCCC(C)C)nc1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-6-(3-methylbutylamino)pyridine-3-carboxamide?
The InChIKey is OXROOPYKBKUZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O/c1-12(2)8-9-20-17-7-4-14(11-21-17)18(23)22-16-6-5-15(19)10-13(16)3/h4-7,10-12H,8-9H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of N-(4-bromo-2-methylphenyl)-6-(3-methylbutylamino)pyridine-3-carboxamide?
N-(4-bromo-2-methylphenyl)-6-(3-methylbutylamino)pyridine-3-carboxamide has a molecular weight of 376.30 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-6-(3-methylbutylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109161206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).