4-N-(4-bromophenyl)-2-N-propylpyridine-2,4-dicarboxamide

C16H16BrN3O2 — CID 109077938

IUPAC4-N-(4-bromophenyl)-2-N-propylpyridine-2,4-dicarboxamide
SMILESCCCNC(=O)c1cc(C(=O)Nc2ccc(Br)cc2)ccn1
InChIInChI=1S/C16H16BrN3O2/c1-2-8-19-16(22)14-10-11(7-9-18-14)15(21)20-13-5-3-12(17)4-6-13/h3-7,9-10H,2,8H2,1H3,(H,19,22)(H,20,21)
InChIKeyVQYZTQVMHNKGCY-UHFFFAOYSA-N
MW362.23 g/mol
LogP3.24
Rot. Bonds5

About 4-N-(4-bromophenyl)-2-N-propylpyridine-2,4-dicarboxamide

4-N-(4-bromophenyl)-2-N-propylpyridine-2,4-dicarboxamide (PubChem CID 109077938) has the molecular formula C16H16BrN3O2 and a molecular weight of 362.23 g/mol. Its IUPAC name is 4-N-(4-bromophenyl)-2-N-propylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-bromophenyl)-2-N-propylpyridine-2,4-dicarboxamide
PubChem CID109077938
Molecular FormulaC16H16BrN3O2
Molecular Weight362.23 g/mol
Exact Mass361.04
IUPAC Name4-N-(4-bromophenyl)-2-N-propylpyridine-2,4-dicarboxamide
SMILESCCCNC(=O)c1cc(C(=O)Nc2ccc(Br)cc2)ccn1
InChIInChI=1S/C16H16BrN3O2/c1-2-8-19-16(22)14-10-11(7-9-18-14)15(21)20-13-5-3-12(17)4-6-13/h3-7,9-10H,2,8H2,1H3,(H,19,22)(H,20,21)
InChIKeyVQYZTQVMHNKGCY-UHFFFAOYSA-N
XLogP3.24
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(4-ethylphenyl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077915
2-N-butyl-4-N-(4-tert-butylphenyl)pyridine-2,4-dicarboxamide
CID 109079477
4-N-(3,5-dimethylphenyl)-2-N-pentylpyridine-2,4-dicarboxamide
CID 109089858
methyl 3-[[2-(propylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109077959
4-N-butyl-2-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109079293
4-N-(2-methylpropyl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077815
2-N-(2-bromophenyl)-4-N-propylpyridine-2,4-dicarboxamide
CID 109077777
N-(4-bromophenyl)-2-(dipropylamino)pyridine-4-carboxamide
CID 109175913
4-N-(3-bromo-4-methylphenyl)-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079869
4-N-butyl-2-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109079275
2-N-(3-methoxyphenyl)-4-N-propylpyridine-2,4-dicarboxamide
CID 109077744
4-N-(2,3-dichlorophenyl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077995

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromophenyl)-2-N-propylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(4-bromophenyl)-2-N-propylpyridine-2,4-dicarboxamide (CID 109077938) is 4-N-(4-bromophenyl)-2-N-propylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-bromophenyl)-2-N-propylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(4-bromophenyl)-2-N-propylpyridine-2,4-dicarboxamide is CCCNC(=O)c1cc(C(=O)Nc2ccc(Br)cc2)ccn1.
What is the InChIKey of 4-N-(4-bromophenyl)-2-N-propylpyridine-2,4-dicarboxamide?
The InChIKey is VQYZTQVMHNKGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O2/c1-2-8-19-16(22)14-10-11(7-9-18-14)15(21)20-13-5-3-12(17)4-6-13/h3-7,9-10H,2,8H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 4-N-(4-bromophenyl)-2-N-propylpyridine-2,4-dicarboxamide?
4-N-(4-bromophenyl)-2-N-propylpyridine-2,4-dicarboxamide has a molecular weight of 362.23 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromophenyl)-2-N-propylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109077938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).