N-(3-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide

C18H20BrN3O — CID 109166380

IUPACN-(3-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1ccnc(NC2CCCCC2)c1
InChIInChI=1S/C18H20BrN3O/c19-14-5-4-8-16(12-14)22-18(23)13-9-10-20-17(11-13)21-15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7H2,(H,20,21)(H,22,23)
InChIKeyMWLRWPTUMRGJOX-UHFFFAOYSA-N
MW374.28 g/mol
LogP4.84
Rot. Bonds4

About N-(3-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide

N-(3-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide (PubChem CID 109166380) has the molecular formula C18H20BrN3O and a molecular weight of 374.28 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide
PubChem CID109166380
Molecular FormulaC18H20BrN3O
Molecular Weight374.28 g/mol
Exact Mass373.08
IUPAC NameN-(3-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1ccnc(NC2CCCCC2)c1
InChIInChI=1S/C18H20BrN3O/c19-14-5-4-8-16(12-14)22-18(23)13-9-10-20-17(11-13)21-15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7H2,(H,20,21)(H,22,23)
InChIKeyMWLRWPTUMRGJOX-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

Analyze N-(3-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide
CID 109166358
N-(3-bromophenyl)-6-(cyclopentylamino)pyridine-3-carboxamide
CID 109152213
2-(3-bromoanilino)-N-cyclohexylpyridine-4-carboxamide
CID 109166315
N-(3-bromophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226964
N-(3-bromophenyl)-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274970
3-bromo-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide
CID 113044378
2-(cyclopropylamino)-N-(3-pyrazol-1-ylphenyl)pyridine-4-carboxamide
CID 167896972
N-(3-bromophenyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109176276
N-(2-bromo-4-methylphenyl)-2-(cyclohexylamino)pyridine-4-carboxamide
CID 109166381
ethyl 4-[[2-(cycloheptylamino)pyridine-4-carbonyl]amino]benzoate
CID 109175107
2-(cyclobutylamino)-N-(1,2-thiazol-4-yl)pyridine-4-carboxamide
CID 166254965
N-(3-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109178798

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide?
The IUPAC name of N-(3-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide (CID 109166380) is N-(3-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide is O=C(Nc1cccc(Br)c1)c1ccnc(NC2CCCCC2)c1.
What is the InChIKey of N-(3-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide?
The InChIKey is MWLRWPTUMRGJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O/c19-14-5-4-8-16(12-14)22-18(23)13-9-10-20-17(11-13)21-15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7H2,(H,20,21)(H,22,23).
What are the key properties of N-(3-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide?
N-(3-bromophenyl)-2-(cyclohexylamino)pyridine-4-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)-2-(cyclohexylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109166380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).