N-(3-bromophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide

C18H20BrN3O — CID 109226964

IUPACN-(3-bromophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1cncc(NC2CCCCC2)c1
InChIInChI=1S/C18H20BrN3O/c19-14-5-4-8-16(10-14)22-18(23)13-9-17(12-20-11-13)21-15-6-2-1-3-7-15/h4-5,8-12,15,21H,1-3,6-7H2,(H,22,23)
InChIKeyKEOJGENWKNUNAW-UHFFFAOYSA-N
MW374.28 g/mol
LogP4.84
Rot. Bonds4

About N-(3-bromophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide

N-(3-bromophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide (PubChem CID 109226964) has the molecular formula C18H20BrN3O and a molecular weight of 374.28 g/mol. Its IUPAC name is N-(3-bromophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
PubChem CID109226964
Molecular FormulaC18H20BrN3O
Molecular Weight374.28 g/mol
Exact Mass373.08
IUPAC NameN-(3-bromophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1cncc(NC2CCCCC2)c1
InChIInChI=1S/C18H20BrN3O/c19-14-5-4-8-16(10-14)22-18(23)13-9-17(12-20-11-13)21-15-6-2-1-3-7-15/h4-5,8-12,15,21H,1-3,6-7H2,(H,22,23)
InChIKeyKEOJGENWKNUNAW-UHFFFAOYSA-N
XLogP4.84
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 ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226946
N-(3-acetylphenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226944
N-(4-bromophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226928
N-(3-cyanophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226989
5-(cycloheptylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109239626
N-(3-bromophenyl)-6-(cyclopentylamino)pyridine-3-carboxamide
CID 109152213
N-(4-bromophenyl)-5-(cyclopropylamino)pyridine-3-carboxamide
CID 109223876
N-(3-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide
CID 109166380
methyl 4-[[5-(cyclohexylamino)pyridine-3-carbonyl]amino]benzoate
CID 109226950
N-(3-bromophenyl)-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274970
N-(4-cyanophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226990
5-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyridine-3-carboxamide
CID 109226240

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide (CID 109226964) is N-(3-bromophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide is O=C(Nc1cccc(Br)c1)c1cncc(NC2CCCCC2)c1.
What is the InChIKey of N-(3-bromophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide?
The InChIKey is KEOJGENWKNUNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O/c19-14-5-4-8-16(10-14)22-18(23)13-9-17(12-20-11-13)21-15-6-2-1-3-7-15/h4-5,8-12,15,21H,1-3,6-7H2,(H,22,23).
What are the key properties of N-(3-bromophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide?
N-(3-bromophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide has a molecular weight of 374.28 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109226964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).