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

C18H20BrN3O — CID 109166358

IUPACN-(4-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccnc(NC2CCCCC2)c1
InChIInChI=1S/C18H20BrN3O/c19-14-6-8-16(9-7-14)22-18(23)13-10-11-20-17(12-13)21-15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,20,21)(H,22,23)
InChIKeyMISNEEHXBDSGTD-UHFFFAOYSA-N
MW374.28 g/mol
LogP4.84
Rot. Bonds4

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

N-(4-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide (PubChem CID 109166358) has the molecular formula C18H20BrN3O and a molecular weight of 374.28 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide
PubChem CID109166358
Molecular FormulaC18H20BrN3O
Molecular Weight374.28 g/mol
Exact Mass373.08
IUPAC NameN-(4-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccnc(NC2CCCCC2)c1
InChIInChI=1S/C18H20BrN3O/c19-14-6-8-16(9-7-14)22-18(23)13-10-11-20-17(12-13)21-15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,20,21)(H,22,23)
InChIKeyMISNEEHXBDSGTD-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-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide
CID 109166380
ethyl 4-[[2-(cycloheptylamino)pyridine-4-carbonyl]amino]benzoate
CID 109175107
N-(4-bromophenyl)-2-hydrazinylpyridine-4-carboxamide
CID 62247582
N-(4-bromophenyl)-4-(cycloheptylamino)pyridine-2-carboxamide
CID 109217159
N-(2-bromo-4-methylphenyl)-2-(cyclohexylamino)pyridine-4-carboxamide
CID 109166381
N-(4-bromophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226928
2-(cyclobutylamino)-N-(1,2-thiazol-4-yl)pyridine-4-carboxamide
CID 166254965
2-(cyclohexylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109166365
2-(cyclopropylamino)-N-methylpyridine-4-carboxamide
CID 130666257
N-(4-bromophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide
CID 109170171
4-bromo-N-[5-(cyclopentylamino)-2-pyridinyl]benzamide
CID 113024450
N-(4-bromophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081299

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide (CID 109166358) is N-(4-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide is O=C(Nc1ccc(Br)cc1)c1ccnc(NC2CCCCC2)c1.
What is the InChIKey of N-(4-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide?
The InChIKey is MISNEEHXBDSGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O/c19-14-6-8-16(9-7-14)22-18(23)13-10-11-20-17(12-13)21-15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,20,21)(H,22,23).
What are the key properties of N-(4-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide?
N-(4-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-(4-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109166358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).