N-(4-bromophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide

C20H18BrN3O — CID 109232433

IUPACN-(4-bromophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCc1cccc(CNc2cncc(C(=O)Nc3ccc(Br)cc3)c2)c1
InChIInChI=1S/C20H18BrN3O/c1-14-3-2-4-15(9-14)11-23-19-10-16(12-22-13-19)20(25)24-18-7-5-17(21)6-8-18/h2-10,12-13,23H,11H2,1H3,(H,24,25)
InChIKeyVQQRQJBPFXYGAA-UHFFFAOYSA-N
MW396.29 g/mol
LogP5.02
Rot. Bonds5

About N-(4-bromophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide

N-(4-bromophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide (PubChem CID 109232433) has the molecular formula C20H18BrN3O and a molecular weight of 396.29 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
PubChem CID109232433
Molecular FormulaC20H18BrN3O
Molecular Weight396.29 g/mol
Exact Mass395.06
IUPAC NameN-(4-bromophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCc1cccc(CNc2cncc(C(=O)Nc3ccc(Br)cc3)c2)c1
InChIInChI=1S/C20H18BrN3O/c1-14-3-2-4-15(9-14)11-23-19-10-16(12-22-13-19)20(25)24-18-7-5-17(21)6-8-18/h2-10,12-13,23H,11H2,1H3,(H,24,25)
InChIKeyVQQRQJBPFXYGAA-UHFFFAOYSA-N
XLogP5.02
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 ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232401
5-(benzylamino)-N-(4-bromophenyl)pyridine-3-carboxamide
CID 109231882
N-(3-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232423
N-(3,4-dimethoxyphenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232444
N-tert-butyl-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232386
5-(benzylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109231789
5-[(3-methylphenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 109223971
N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232216
N-(4-bromophenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide
CID 109235964
5-[(4-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide
CID 109232664
4-methyl-N-[4-[(3-methylphenyl)methylamino]phenyl]benzamide
CID 112982081
N-(3-methylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232132

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide (CID 109232433) is N-(4-bromophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide is Cc1cccc(CNc2cncc(C(=O)Nc3ccc(Br)cc3)c2)c1.
What is the InChIKey of N-(4-bromophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is VQQRQJBPFXYGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O/c1-14-3-2-4-15(9-14)11-23-19-10-16(12-22-13-19)20(25)24-18-7-5-17(21)6-8-18/h2-10,12-13,23H,11H2,1H3,(H,24,25).
What are the key properties of N-(4-bromophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide?
N-(4-bromophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 396.29 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109232433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).