6-bromo-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide

C18H21BrN2O — CID 132587570

IUPAC6-bromo-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(Br)nc1
InChIInChI=1S/C18H21BrN2O/c1-11(2)14-6-5-7-15(12(3)4)17(14)21-18(22)13-8-9-16(19)20-10-13/h5-12H,1-4H3,(H,21,22)
InChIKeyZYPHZDAWGJZSAY-UHFFFAOYSA-N
MW361.28 g/mol
LogP5.34
Rot. Bonds4

About 6-bromo-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide

6-bromo-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide (PubChem CID 132587570) has the molecular formula C18H21BrN2O and a molecular weight of 361.28 g/mol. Its IUPAC name is 6-bromo-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide
PubChem CID132587570
Molecular FormulaC18H21BrN2O
Molecular Weight361.28 g/mol
Exact Mass360.08
IUPAC Name6-bromo-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(Br)nc1
InChIInChI=1S/C18H21BrN2O/c1-11(2)14-6-5-7-15(12(3)4)17(14)21-18(22)13-8-9-16(19)20-10-13/h5-12H,1-4H3,(H,21,22)
InChIKeyZYPHZDAWGJZSAY-UHFFFAOYSA-N
XLogP5.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.28
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide
CID 18148418
2-N,5-N-bis(2-methyl-6-propan-2-ylphenyl)pyridine-2,5-dicarboxamide
CID 1312773
N-[2,6-di(propan-2-yl)phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154591
2-(tert-butylamino)-N-[2,6-di(propan-2-yl)phenyl]pyrimidine-5-carboxamide
CID 109263050
N-[2,6-di(propan-2-yl)phenyl]benzamide
CID 709320
6-bromo-N-(6-bromo-2-pyridinyl)pyridine-3-carboxamide
CID 59408764
N-[2,6-di(propan-2-yl)phenyl]-1H-pyrazole-4-carboxamide
CID 110863414
N-[2,6-di(propan-2-yl)phenyl]benzamide;hydroiodide
CID 175991462
(2S)-2-[4-[[2,6-di(propan-2-yl)phenyl]carbamoyl]phenoxy]propanoic acid
CID 7018110
N-[2,6-di(propan-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249498
N-[2,6-di(propan-2-yl)phenyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250248
N-[2,6-di(propan-2-yl)phenyl]-3,4-dihydroxybenzamide
CID 113199333

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide (CID 132587570) is 6-bromo-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide is CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is ZYPHZDAWGJZSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O/c1-11(2)14-6-5-7-15(12(3)4)17(14)21-18(22)13-8-9-16(19)20-10-13/h5-12H,1-4H3,(H,21,22).
What are the key properties of 6-bromo-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide?
6-bromo-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 361.28 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 132587570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).