N-(4-bromophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide

C20H18BrN3O — CID 109170171

IUPACN-(4-bromophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide
SMILESCC(Nc1cc(C(=O)Nc2ccc(Br)cc2)ccn1)c1ccccc1
InChIInChI=1S/C20H18BrN3O/c1-14(15-5-3-2-4-6-15)23-19-13-16(11-12-22-19)20(25)24-18-9-7-17(21)8-10-18/h2-14H,1H3,(H,22,23)(H,24,25)
InChIKeySCCFPYAMWKMIEZ-UHFFFAOYSA-N
MW396.29 g/mol
LogP5.27
Rot. Bonds5

About N-(4-bromophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide

N-(4-bromophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide (PubChem CID 109170171) has the molecular formula C20H18BrN3O and a molecular weight of 396.29 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide
PubChem CID109170171
Molecular FormulaC20H18BrN3O
Molecular Weight396.29 g/mol
Exact Mass395.06
IUPAC NameN-(4-bromophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide
SMILESCC(Nc1cc(C(=O)Nc2ccc(Br)cc2)ccn1)c1ccccc1
InChIInChI=1S/C20H18BrN3O/c1-14(15-5-3-2-4-6-15)23-19-13-16(11-12-22-19)20(25)24-18-9-7-17(21)8-10-18/h2-14H,1H3,(H,22,23)(H,24,25)
InChIKeySCCFPYAMWKMIEZ-UHFFFAOYSA-N
XLogP5.27
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.29
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide
CID 109170167
N-(3-chloro-4-fluorophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide
CID 109170168
N-(4-bromophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109347581
N-(4-bromophenyl)-2-hydrazinylpyridine-4-carboxamide
CID 62247582
2-(3-bromoanilino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109170111
N-(4-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide
CID 109166358
N-(4-bromophenyl)-2-(N-methylanilino)pyridine-4-carboxamide
CID 109176388
2-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109165889
N-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide
CID 109177861
N-(4-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156139
N-benzhydryl-2-(propan-2-ylamino)pyridine-4-carboxamide
CID 84574553
3,4-dimethoxy-N-[4-(1-phenylethylamino)phenyl]benzamide
CID 112982231

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide (CID 109170171) is N-(4-bromophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide is CC(Nc1cc(C(=O)Nc2ccc(Br)cc2)ccn1)c1ccccc1.
What is the InChIKey of N-(4-bromophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide?
The InChIKey is SCCFPYAMWKMIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O/c1-14(15-5-3-2-4-6-15)23-19-13-16(11-12-22-19)20(25)24-18-9-7-17(21)8-10-18/h2-14H,1H3,(H,22,23)(H,24,25).
What are the key properties of N-(4-bromophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide?
N-(4-bromophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide has a molecular weight of 396.29 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109170171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).