2-(3-bromoanilino)-N-cyclohexylpyridine-4-carboxamide

C18H20BrN3O — CID 109166315

IUPAC2-(3-bromoanilino)-N-cyclohexylpyridine-4-carboxamide
SMILESO=C(NC1CCCCC1)c1ccnc(Nc2cccc(Br)c2)c1
InChIInChI=1S/C18H20BrN3O/c19-14-5-4-8-16(12-14)21-17-11-13(9-10-20-17)18(23)22-15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7H2,(H,20,21)(H,22,23)
InChIKeyVILUOYOFHCNJDL-UHFFFAOYSA-N
MW374.28 g/mol
LogP4.65
Rot. Bonds4

About 2-(3-bromoanilino)-N-cyclohexylpyridine-4-carboxamide

2-(3-bromoanilino)-N-cyclohexylpyridine-4-carboxamide (PubChem CID 109166315) has the molecular formula C18H20BrN3O and a molecular weight of 374.28 g/mol. Its IUPAC name is 2-(3-bromoanilino)-N-cyclohexylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-bromoanilino)-N-cyclohexylpyridine-4-carboxamide
PubChem CID109166315
Molecular FormulaC18H20BrN3O
Molecular Weight374.28 g/mol
Exact Mass373.08
IUPAC Name2-(3-bromoanilino)-N-cyclohexylpyridine-4-carboxamide
SMILESO=C(NC1CCCCC1)c1ccnc(Nc2cccc(Br)c2)c1
InChIInChI=1S/C18H20BrN3O/c19-14-5-4-8-16(12-14)21-17-11-13(9-10-20-17)18(23)22-15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7H2,(H,20,21)(H,22,23)
InChIKeyVILUOYOFHCNJDL-UHFFFAOYSA-N
XLogP4.65
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-bromoanilino)-N-cyclopentylpyridine-3-carboxamide
CID 109152271
N-(3-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide
CID 109166380
5-(3-bromoanilino)-N-cyclopentylpyrazine-2-carboxamide
CID 109274039
2-(1,3-benzodioxol-5-ylamino)-N-cycloheptylpyridine-4-carboxamide
CID 109175070
2-(3-bromoanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166839
N-(3-bromophenyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109176276
4-(3-bromoanilino)-N-cyclopropylpyridine-2-carboxamide
CID 109201843
5-(3-bromoanilino)-N-cyclopentylpyridine-2-carboxamide
CID 109182312
2-(3-bromoanilino)-N-(2-methylphenyl)pyridine-4-carboxamide
CID 109176186
2-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109177974
N-(3-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109178798
2-(3-bromoanilino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109170111

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-N-cyclohexylpyridine-4-carboxamide?
The IUPAC name of 2-(3-bromoanilino)-N-cyclohexylpyridine-4-carboxamide (CID 109166315) is 2-(3-bromoanilino)-N-cyclohexylpyridine-4-carboxamide.
What is the SMILES notation for 2-(3-bromoanilino)-N-cyclohexylpyridine-4-carboxamide?
The canonical SMILES for 2-(3-bromoanilino)-N-cyclohexylpyridine-4-carboxamide is O=C(NC1CCCCC1)c1ccnc(Nc2cccc(Br)c2)c1.
What is the InChIKey of 2-(3-bromoanilino)-N-cyclohexylpyridine-4-carboxamide?
The InChIKey is VILUOYOFHCNJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O/c19-14-5-4-8-16(12-14)21-17-11-13(9-10-20-17)18(23)22-15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7H2,(H,20,21)(H,22,23).
What are the key properties of 2-(3-bromoanilino)-N-cyclohexylpyridine-4-carboxamide?
2-(3-bromoanilino)-N-cyclohexylpyridine-4-carboxamide has a molecular weight of 374.28 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-N-cyclohexylpyridine-4-carboxamide is sourced from PubChem (CID 109166315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).