N-(4-bromophenyl)-5-(cyclopropylamino)pyridine-3-carboxamide

C15H14BrN3O — CID 109223876

IUPACN-(4-bromophenyl)-5-(cyclopropylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cncc(NC2CC2)c1
InChIInChI=1S/C15H14BrN3O/c16-11-1-3-13(4-2-11)19-15(20)10-7-14(9-17-8-10)18-12-5-6-12/h1-4,7-9,12,18H,5-6H2,(H,19,20)
InChIKeyJVLFRFWNOYGCHX-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.67
Rot. Bonds4

About N-(4-bromophenyl)-5-(cyclopropylamino)pyridine-3-carboxamide

N-(4-bromophenyl)-5-(cyclopropylamino)pyridine-3-carboxamide (PubChem CID 109223876) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-(cyclopropylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-(cyclopropylamino)pyridine-3-carboxamide
PubChem CID109223876
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC NameN-(4-bromophenyl)-5-(cyclopropylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cncc(NC2CC2)c1
InChIInChI=1S/C15H14BrN3O/c16-11-1-3-13(4-2-11)19-15(20)10-7-14(9-17-8-10)18-12-5-6-12/h1-4,7-9,12,18H,5-6H2,(H,19,20)
InChIKeyJVLFRFWNOYGCHX-UHFFFAOYSA-N
XLogP3.67
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226928
N-(3-bromophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226964
5-(cyclopentylamino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109226211
methyl 4-[[5-(cyclohexylamino)pyridine-3-carbonyl]amino]benzoate
CID 109226950
N-(4-cyanophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226990
N-(4-bromophenyl)-5-hydroxypyridine-3-carboxamide
CID 63851687
N-(4-bromophenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239425
N-(4-bromophenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242129
5-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyridine-3-carboxamide
CID 109226240
5-(cyclopentylamino)-N-cyclopropylpyridine-3-carboxamide
CID 109223558
5-(cyclopropylamino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 109223922
N-(3-acetamidophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226946

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-(cyclopropylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-5-(cyclopropylamino)pyridine-3-carboxamide (CID 109223876) is N-(4-bromophenyl)-5-(cyclopropylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-5-(cyclopropylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-5-(cyclopropylamino)pyridine-3-carboxamide is O=C(Nc1ccc(Br)cc1)c1cncc(NC2CC2)c1.
What is the InChIKey of N-(4-bromophenyl)-5-(cyclopropylamino)pyridine-3-carboxamide?
The InChIKey is JVLFRFWNOYGCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c16-11-1-3-13(4-2-11)19-15(20)10-7-14(9-17-8-10)18-12-5-6-12/h1-4,7-9,12,18H,5-6H2,(H,19,20).
What are the key properties of N-(4-bromophenyl)-5-(cyclopropylamino)pyridine-3-carboxamide?
N-(4-bromophenyl)-5-(cyclopropylamino)pyridine-3-carboxamide has a molecular weight of 332.20 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-(cyclopropylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109223876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).