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

C16H16BrN3O2 — CID 109077777

IUPAC2-N-(2-bromophenyl)-4-N-propylpyridine-2,4-dicarboxamide
SMILESCCCNC(=O)c1ccnc(C(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C16H16BrN3O2/c1-2-8-19-15(21)11-7-9-18-14(10-11)16(22)20-13-6-4-3-5-12(13)17/h3-7,9-10H,2,8H2,1H3,(H,19,21)(H,20,22)
InChIKeyRRXQXGSYLUONIS-UHFFFAOYSA-N
MW362.23 g/mol
LogP3.24
Rot. Bonds5

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

2-N-(2-bromophenyl)-4-N-propylpyridine-2,4-dicarboxamide (PubChem CID 109077777) has the molecular formula C16H16BrN3O2 and a molecular weight of 362.23 g/mol. Its IUPAC name is 2-N-(2-bromophenyl)-4-N-propylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-bromophenyl)-4-N-propylpyridine-2,4-dicarboxamide
PubChem CID109077777
Molecular FormulaC16H16BrN3O2
Molecular Weight362.23 g/mol
Exact Mass361.04
IUPAC Name2-N-(2-bromophenyl)-4-N-propylpyridine-2,4-dicarboxamide
SMILESCCCNC(=O)c1ccnc(C(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C16H16BrN3O2/c1-2-8-19-15(21)11-7-9-18-14(10-11)16(22)20-13-6-4-3-5-12(13)17/h3-7,9-10H,2,8H2,1H3,(H,19,21)(H,20,22)
InChIKeyRRXQXGSYLUONIS-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

2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082277
2-N-(2-bromophenyl)-4-N-butyl-4-N-methylpyridine-2,4-dicarboxamide
CID 109090010
4-N-(2-bromophenyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 109043031
4-N-(2,3-dichlorophenyl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077995
4-N-butyl-2-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109079363
methyl 2-[[4-(pentylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109089807
2-N,4-N-bis(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092181
4-N-(4-bromophenyl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077938
4-N-(2-methylpropyl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077815
2-N-(3-methoxyphenyl)-4-N-propylpyridine-2,4-dicarboxamide
CID 109077744
2-N-methyl-2-N-phenyl-4-N-propylpyridine-2,4-dicarboxamide
CID 109077708
2-N-butyl-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109079471

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromophenyl)-4-N-propylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(2-bromophenyl)-4-N-propylpyridine-2,4-dicarboxamide (CID 109077777) is 2-N-(2-bromophenyl)-4-N-propylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(2-bromophenyl)-4-N-propylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(2-bromophenyl)-4-N-propylpyridine-2,4-dicarboxamide is CCCNC(=O)c1ccnc(C(=O)Nc2ccccc2Br)c1.
What is the InChIKey of 2-N-(2-bromophenyl)-4-N-propylpyridine-2,4-dicarboxamide?
The InChIKey is RRXQXGSYLUONIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O2/c1-2-8-19-15(21)11-7-9-18-14(10-11)16(22)20-13-6-4-3-5-12(13)17/h3-7,9-10H,2,8H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-N-(2-bromophenyl)-4-N-propylpyridine-2,4-dicarboxamide?
2-N-(2-bromophenyl)-4-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 2-N-(2-bromophenyl)-4-N-propylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109077777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).