2-N-(2-bromophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide

C16H16BrN3O2 — CID 109093772

IUPAC2-N-(2-bromophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
SMILESCC(C)NC(=O)c1cccc(C(=O)Nc2ccccc2Br)n1
InChIInChI=1S/C16H16BrN3O2/c1-10(2)18-15(21)13-8-5-9-14(19-13)16(22)20-12-7-4-3-6-11(12)17/h3-10H,1-2H3,(H,18,21)(H,20,22)
InChIKeyDQYVWVNDACCSDI-UHFFFAOYSA-N
MW362.23 g/mol
LogP3.23
Rot. Bonds4

About 2-N-(2-bromophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide

2-N-(2-bromophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide (PubChem CID 109093772) has the molecular formula C16H16BrN3O2 and a molecular weight of 362.23 g/mol. Its IUPAC name is 2-N-(2-bromophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-bromophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
PubChem CID109093772
Molecular FormulaC16H16BrN3O2
Molecular Weight362.23 g/mol
Exact Mass361.04
IUPAC Name2-N-(2-bromophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
SMILESCC(C)NC(=O)c1cccc(C(=O)Nc2ccccc2Br)n1
InChIInChI=1S/C16H16BrN3O2/c1-10(2)18-15(21)13-8-5-9-14(19-13)16(22)20-12-7-4-3-6-11(12)17/h3-10H,1-2H3,(H,18,21)(H,20,22)
InChIKeyDQYVWVNDACCSDI-UHFFFAOYSA-N
XLogP3.23
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-propan-2-yl-2-N-(2-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
CID 109093744
6-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 18668624
2-N-(2,5-dichlorophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093790
2-N-methyl-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 137487537
6-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 24903389
6-N-propan-2-yl-2-N-(2,4,6-trimethylphenyl)pyridine-2,6-dicarboxamide
CID 109093718
methyl 6-[1-(2-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylate
CID 47044898
5-(2-bromoanilino)-N-propan-2-ylpyrazine-2-carboxamide
CID 109271317
N-(3-bromo-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 113230237
2-N-(4-ethylphenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093713
methyl (2S)-2-[[2-[[2-[[6-[[2-[[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]carbamoyl]phenyl]carbamoyl]pyridine-2-carbonyl]amino]benzoyl]amino]benzoyl]amino]propanoate
CID 102216653
6-N-propan-2-yl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093750

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-(2-bromophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide (CID 109093772) is 2-N-(2-bromophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-(2-bromophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-(2-bromophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide is CC(C)NC(=O)c1cccc(C(=O)Nc2ccccc2Br)n1.
What is the InChIKey of 2-N-(2-bromophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide?
The InChIKey is DQYVWVNDACCSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O2/c1-10(2)18-15(21)13-8-5-9-14(19-13)16(22)20-12-7-4-3-6-11(12)17/h3-10H,1-2H3,(H,18,21)(H,20,22).
What are the key properties of 2-N-(2-bromophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide?
2-N-(2-bromophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide has a molecular weight of 362.23 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bromophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 109093772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).