N-(3-bromophenyl)-5-(tert-butylamino)pyridine-3-carboxamide

C16H18BrN3O — CID 109239462

IUPACN-(3-bromophenyl)-5-(tert-butylamino)pyridine-3-carboxamide
SMILESCC(C)(C)Nc1cncc(C(=O)Nc2cccc(Br)c2)c1
InChIInChI=1S/C16H18BrN3O/c1-16(2,3)20-14-7-11(9-18-10-14)15(21)19-13-6-4-5-12(17)8-13/h4-10,20H,1-3H3,(H,19,21)
InChIKeyXKAJCJAPBWLECQ-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.31
Rot. Bonds3

About N-(3-bromophenyl)-5-(tert-butylamino)pyridine-3-carboxamide

N-(3-bromophenyl)-5-(tert-butylamino)pyridine-3-carboxamide (PubChem CID 109239462) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is N-(3-bromophenyl)-5-(tert-butylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-5-(tert-butylamino)pyridine-3-carboxamide
PubChem CID109239462
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC NameN-(3-bromophenyl)-5-(tert-butylamino)pyridine-3-carboxamide
SMILESCC(C)(C)Nc1cncc(C(=O)Nc2cccc(Br)c2)c1
InChIInChI=1S/C16H18BrN3O/c1-16(2,3)20-14-7-11(9-18-10-14)15(21)19-13-6-4-5-12(17)8-13/h4-10,20H,1-3H3,(H,19,21)
InChIKeyXKAJCJAPBWLECQ-UHFFFAOYSA-N
XLogP4.31
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239425
5-(tert-butylamino)-N-phenylpyridine-3-carboxamide
CID 109239388
N-(4-bromo-3-methylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239465
N-(4-bromo-2-methylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239464
5-(tert-butylamino)-N-(2,6-diethylphenyl)pyridine-3-carboxamide
CID 109239408
N-(4-acetylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239442
N-(3-bromophenyl)-5-(2-ethylanilino)pyridine-3-carboxamide
CID 109243423
5-(tert-butylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109239400
5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109239451
5-(tert-butylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 109239410
N-(3-bromophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226964
5-(tert-butylamino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109239395

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-5-(tert-butylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-5-(tert-butylamino)pyridine-3-carboxamide (CID 109239462) is N-(3-bromophenyl)-5-(tert-butylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-5-(tert-butylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-5-(tert-butylamino)pyridine-3-carboxamide is CC(C)(C)Nc1cncc(C(=O)Nc2cccc(Br)c2)c1.
What is the InChIKey of N-(3-bromophenyl)-5-(tert-butylamino)pyridine-3-carboxamide?
The InChIKey is XKAJCJAPBWLECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-16(2,3)20-14-7-11(9-18-10-14)15(21)19-13-6-4-5-12(17)8-13/h4-10,20H,1-3H3,(H,19,21).
What are the key properties of N-(3-bromophenyl)-5-(tert-butylamino)pyridine-3-carboxamide?
N-(3-bromophenyl)-5-(tert-butylamino)pyridine-3-carboxamide has a molecular weight of 348.24 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-5-(tert-butylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109239462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).