2-N-(3-bromophenyl)-6-N-butyl-6-N-methylpyridine-2,6-dicarboxamide

C18H20BrN3O2 — CID 109099598

IUPAC2-N-(3-bromophenyl)-6-N-butyl-6-N-methylpyridine-2,6-dicarboxamide
SMILESCCCCN(C)C(=O)c1cccc(C(=O)Nc2cccc(Br)c2)n1
InChIInChI=1S/C18H20BrN3O2/c1-3-4-11-22(2)18(24)16-10-6-9-15(21-16)17(23)20-14-8-5-7-13(19)12-14/h5-10,12H,3-4,11H2,1-2H3,(H,20,23)
InChIKeyAGIVCUVNBSYXGJ-UHFFFAOYSA-N
MW390.28 g/mol
LogP3.97
Rot. Bonds6

About 2-N-(3-bromophenyl)-6-N-butyl-6-N-methylpyridine-2,6-dicarboxamide

2-N-(3-bromophenyl)-6-N-butyl-6-N-methylpyridine-2,6-dicarboxamide (PubChem CID 109099598) has the molecular formula C18H20BrN3O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is 2-N-(3-bromophenyl)-6-N-butyl-6-N-methylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-bromophenyl)-6-N-butyl-6-N-methylpyridine-2,6-dicarboxamide
PubChem CID109099598
Molecular FormulaC18H20BrN3O2
Molecular Weight390.28 g/mol
Exact Mass389.07
IUPAC Name2-N-(3-bromophenyl)-6-N-butyl-6-N-methylpyridine-2,6-dicarboxamide
SMILESCCCCN(C)C(=O)c1cccc(C(=O)Nc2cccc(Br)c2)n1
InChIInChI=1S/C18H20BrN3O2/c1-3-4-11-22(2)18(24)16-10-6-9-15(21-16)17(23)20-14-8-5-7-13(19)12-14/h5-10,12H,3-4,11H2,1-2H3,(H,20,23)
InChIKeyAGIVCUVNBSYXGJ-UHFFFAOYSA-N
XLogP3.97
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-(3-bromophenyl)-2-N-butylpyridine-2,6-dicarboxamide
CID 109094351
6-N-butyl-2-N-(3-methoxyphenyl)-6-N-methylpyridine-2,6-dicarboxamide
CID 109099571
2-N-(3-bromophenyl)-4-N-butyl-4-N-methylpyridine-2,4-dicarboxamide
CID 109090011
6-N-butyl-2-N-(4-tert-butylphenyl)-6-N-methylpyridine-2,6-dicarboxamide
CID 109099555
N-(3-bromophenyl)-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide
CID 109333607
6-N-butyl-2-N-(2,6-dimethylphenyl)-6-N-methylpyridine-2,6-dicarboxamide
CID 109099543
N-(3-bromophenyl)-5-[butyl(methyl)amino]pyridine-2-carboxamide
CID 109196108
6-N-butyl-6-N-methyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
CID 109099577
6-N-butyl-6-N-methyl-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109099533
2-N-butyl-6-N,6-N-diethyl-2-N-methylpyridine-2,6-dicarboxamide
CID 109098960
6-N-butyl-2-N-(2-cyanophenyl)-6-N-methylpyridine-2,6-dicarboxamide
CID 109099614
6-N-butyl-2-N-(5-chloro-2-methoxyphenyl)-6-N-methylpyridine-2,6-dicarboxamide
CID 109099568

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromophenyl)-6-N-butyl-6-N-methylpyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-(3-bromophenyl)-6-N-butyl-6-N-methylpyridine-2,6-dicarboxamide (CID 109099598) is 2-N-(3-bromophenyl)-6-N-butyl-6-N-methylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-(3-bromophenyl)-6-N-butyl-6-N-methylpyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-(3-bromophenyl)-6-N-butyl-6-N-methylpyridine-2,6-dicarboxamide is CCCCN(C)C(=O)c1cccc(C(=O)Nc2cccc(Br)c2)n1.
What is the InChIKey of 2-N-(3-bromophenyl)-6-N-butyl-6-N-methylpyridine-2,6-dicarboxamide?
The InChIKey is AGIVCUVNBSYXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O2/c1-3-4-11-22(2)18(24)16-10-6-9-15(21-16)17(23)20-14-8-5-7-13(19)12-14/h5-10,12H,3-4,11H2,1-2H3,(H,20,23).
What are the key properties of 2-N-(3-bromophenyl)-6-N-butyl-6-N-methylpyridine-2,6-dicarboxamide?
2-N-(3-bromophenyl)-6-N-butyl-6-N-methylpyridine-2,6-dicarboxamide has a molecular weight of 390.28 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromophenyl)-6-N-butyl-6-N-methylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 109099598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).