2-N-(2-bromo-4-methylphenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide

C18H20BrN3O2 — CID 109088863

IUPAC2-N-(2-bromo-4-methylphenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide
SMILESCCN(CC)C(=O)c1ccnc(C(=O)Nc2ccc(C)cc2Br)c1
InChIInChI=1S/C18H20BrN3O2/c1-4-22(5-2)18(24)13-8-9-20-16(11-13)17(23)21-15-7-6-12(3)10-14(15)19/h6-11H,4-5H2,1-3H3,(H,21,23)
InChIKeyYYHRDCIPVJKWQE-UHFFFAOYSA-N
MW390.28 g/mol
LogP3.89
Rot. Bonds5

About 2-N-(2-bromo-4-methylphenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide

2-N-(2-bromo-4-methylphenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide (PubChem CID 109088863) has the molecular formula C18H20BrN3O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is 2-N-(2-bromo-4-methylphenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-bromo-4-methylphenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide
PubChem CID109088863
Molecular FormulaC18H20BrN3O2
Molecular Weight390.28 g/mol
Exact Mass389.07
IUPAC Name2-N-(2-bromo-4-methylphenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide
SMILESCCN(CC)C(=O)c1ccnc(C(=O)Nc2ccc(C)cc2Br)c1
InChIInChI=1S/C18H20BrN3O2/c1-4-22(5-2)18(24)13-8-9-20-16(11-13)17(23)21-15-7-6-12(3)10-14(15)19/h6-11H,4-5H2,1-3H3,(H,21,23)
InChIKeyYYHRDCIPVJKWQE-UHFFFAOYSA-N
XLogP3.89
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide
CID 109088871
4-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide
CID 62153202
4-N-(2-bromo-4-methylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide
CID 109089325
2-N-(3,4-dimethylphenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide
CID 109088798
N-(2-bromo-4-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide
CID 109353355
2-N-(2-bromophenyl)-4-N-butyl-4-N-methylpyridine-2,4-dicarboxamide
CID 109090010
N-(2-bromo-4-methylphenyl)-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 109202431
4-N,4-N-diethyl-2-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109088860
N-(2-bromo-4-methylphenyl)-6-ethoxypyrimidine-4-carboxamide
CID 91816313
2-N-(2-bromophenyl)-4-N-propylpyridine-2,4-dicarboxamide
CID 109077777
4-N,4-N-diethyl-2-N-(4-phenoxyphenyl)pyridine-2,4-dicarboxamide
CID 109088859
4-N,4-N-diethyl-2-N-(2-morpholin-4-ylphenyl)pyridine-2,4-dicarboxamide
CID 109088856

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromo-4-methylphenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(2-bromo-4-methylphenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide (CID 109088863) is 2-N-(2-bromo-4-methylphenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(2-bromo-4-methylphenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(2-bromo-4-methylphenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide is CCN(CC)C(=O)c1ccnc(C(=O)Nc2ccc(C)cc2Br)c1.
What is the InChIKey of 2-N-(2-bromo-4-methylphenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide?
The InChIKey is YYHRDCIPVJKWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O2/c1-4-22(5-2)18(24)13-8-9-20-16(11-13)17(23)21-15-7-6-12(3)10-14(15)19/h6-11H,4-5H2,1-3H3,(H,21,23).
What are the key properties of 2-N-(2-bromo-4-methylphenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide?
2-N-(2-bromo-4-methylphenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide has a molecular weight of 390.28 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bromo-4-methylphenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109088863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).