5-(4-bromoanilino)-N-tert-butylpyridine-3-carboxamide

C16H18BrN3O — CID 109239305

IUPAC5-(4-bromoanilino)-N-tert-butylpyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cncc(Nc2ccc(Br)cc2)c1
InChIInChI=1S/C16H18BrN3O/c1-16(2,3)20-15(21)11-8-14(10-18-9-11)19-13-6-4-12(17)5-7-13/h4-10,19H,1-3H3,(H,20,21)
InChIKeyNQBRAODKJNTAKB-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.12
Rot. Bonds3

About 5-(4-bromoanilino)-N-tert-butylpyridine-3-carboxamide

5-(4-bromoanilino)-N-tert-butylpyridine-3-carboxamide (PubChem CID 109239305) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is 5-(4-bromoanilino)-N-tert-butylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-bromoanilino)-N-tert-butylpyridine-3-carboxamide
PubChem CID109239305
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name5-(4-bromoanilino)-N-tert-butylpyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cncc(Nc2ccc(Br)cc2)c1
InChIInChI=1S/C16H18BrN3O/c1-16(2,3)20-15(21)11-8-14(10-18-9-11)19-13-6-4-12(17)5-7-13/h4-10,19H,1-3H3,(H,20,21)
InChIKeyNQBRAODKJNTAKB-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-5-(4-chloroanilino)pyridine-3-carboxamide
CID 109239296
N-(4-bromophenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242129
5-(4-bromoanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109243019
N-(4-bromophenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239425
5-(4-bromoanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232831
N-tert-butyl-5-(2-methylanilino)pyridine-3-carboxamide
CID 109239269
N-tert-butyl-5-(2,6-difluoroanilino)pyridine-3-carboxamide
CID 109239372
N-tert-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109239319
5-(4-bromoanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109235844
5-N-tert-butyl-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109106913
5-(4-tert-butylanilino)-N-propylpyridine-3-carboxamide
CID 109222873
5-(4-tert-butylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242026

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromoanilino)-N-tert-butylpyridine-3-carboxamide?
The IUPAC name of 5-(4-bromoanilino)-N-tert-butylpyridine-3-carboxamide (CID 109239305) is 5-(4-bromoanilino)-N-tert-butylpyridine-3-carboxamide.
What is the SMILES notation for 5-(4-bromoanilino)-N-tert-butylpyridine-3-carboxamide?
The canonical SMILES for 5-(4-bromoanilino)-N-tert-butylpyridine-3-carboxamide is CC(C)(C)NC(=O)c1cncc(Nc2ccc(Br)cc2)c1.
What is the InChIKey of 5-(4-bromoanilino)-N-tert-butylpyridine-3-carboxamide?
The InChIKey is NQBRAODKJNTAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-16(2,3)20-15(21)11-8-14(10-18-9-11)19-13-6-4-12(17)5-7-13/h4-10,19H,1-3H3,(H,20,21).
What are the key properties of 5-(4-bromoanilino)-N-tert-butylpyridine-3-carboxamide?
5-(4-bromoanilino)-N-tert-butylpyridine-3-carboxamide has a molecular weight of 348.24 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromoanilino)-N-tert-butylpyridine-3-carboxamide is sourced from PubChem (CID 109239305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).