N-(4-bromo-2-methylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide

C18H22BrN3O — CID 109195688

IUPACN-(4-bromo-2-methylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1ccc(NCCC(C)C)cn1
InChIInChI=1S/C18H22BrN3O/c1-12(2)8-9-20-15-5-7-17(21-11-15)18(23)22-16-6-4-14(19)10-13(16)3/h4-7,10-12,20H,8-9H2,1-3H3,(H,22,23)
InChIKeyDYOZBINTYMXVRO-UHFFFAOYSA-N
MW376.30 g/mol
LogP4.86
Rot. Bonds6

About N-(4-bromo-2-methylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide

N-(4-bromo-2-methylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide (PubChem CID 109195688) has the molecular formula C18H22BrN3O and a molecular weight of 376.30 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
PubChem CID109195688
Molecular FormulaC18H22BrN3O
Molecular Weight376.30 g/mol
Exact Mass375.09
IUPAC NameN-(4-bromo-2-methylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1ccc(NCCC(C)C)cn1
InChIInChI=1S/C18H22BrN3O/c1-12(2)8-9-20-15-5-7-17(21-11-15)18(23)22-16-6-4-14(19)10-13(16)3/h4-7,10-12,20H,8-9H2,1-3H3,(H,22,23)
InChIKeyDYOZBINTYMXVRO-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-methoxypropylamino)pyridine-2-carboxamide
CID 109184527
N-(4-bromo-2-methylphenyl)-6-(3-methylbutylamino)pyridine-3-carboxamide
CID 109161206
N-(3,4-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195700
N-(4-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181316
N-(4-bromo-2-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115577245
N-(4-bromo-2-methylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62186935
N-(4-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195667
N-(2-methoxyethyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109183892
5-(4-bromo-2-methylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183979
5-(3-methylbutylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109195665
N-(2,6-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195704
N-(2,6-difluorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195715

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide (CID 109195688) is N-(4-bromo-2-methylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide is Cc1cc(Br)ccc1NC(=O)c1ccc(NCCC(C)C)cn1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide?
The InChIKey is DYOZBINTYMXVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O/c1-12(2)8-9-20-15-5-7-17(21-11-15)18(23)22-16-6-4-14(19)10-13(16)3/h4-7,10-12,20H,8-9H2,1-3H3,(H,22,23).
What are the key properties of N-(4-bromo-2-methylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide?
N-(4-bromo-2-methylphenyl)-5-(3-methylbutylamino)pyridine-2-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)-5-(3-methylbutylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109195688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).