N-(4-bromophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide

C20H18BrN3O — CID 109155992

IUPACN-(4-bromophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCc1ccc(CNc2ccc(C(=O)Nc3ccc(Br)cc3)cn2)cc1
InChIInChI=1S/C20H18BrN3O/c1-14-2-4-15(5-3-14)12-22-19-11-6-16(13-23-19)20(25)24-18-9-7-17(21)8-10-18/h2-11,13H,12H2,1H3,(H,22,23)(H,24,25)
InChIKeyYTCCNHBPVHCCPG-UHFFFAOYSA-N
MW396.29 g/mol
LogP5.02
Rot. Bonds5

About N-(4-bromophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide

N-(4-bromophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide (PubChem CID 109155992) has the molecular formula C20H18BrN3O and a molecular weight of 396.29 g/mol. Its IUPAC name is N-(4-bromophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
PubChem CID109155992
Molecular FormulaC20H18BrN3O
Molecular Weight396.29 g/mol
Exact Mass395.06
IUPAC NameN-(4-bromophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCc1ccc(CNc2ccc(C(=O)Nc3ccc(Br)cc3)cn2)cc1
InChIInChI=1S/C20H18BrN3O/c1-14-2-4-15(5-3-14)12-22-19-11-6-16(13-23-19)20(25)24-18-9-7-17(21)8-10-18/h2-11,13H,12H2,1H3,(H,22,23)(H,24,25)
InChIKeyYTCCNHBPVHCCPG-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

methyl 4-[[6-[(4-methylphenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109156010
4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011759
6-[(4-methylphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109156003
N-(3,4-difluorophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109156026
4-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011762
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-4-methylbenzamide
CID 113012110
N-(3-chlorophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155987
N-(4-acetamidophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109156954
ethyl 4-[[6-[(4-fluorophenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109156667
N-[4-(dimethylamino)phenyl]-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109156661
ethyl 4-[[6-(benzylamino)pyridine-3-carbonyl]amino]benzoate
CID 109155551
6-(ethylamino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 62166937

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide (CID 109155992) is N-(4-bromophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide is Cc1ccc(CNc2ccc(C(=O)Nc3ccc(Br)cc3)cn2)cc1.
What is the InChIKey of N-(4-bromophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is YTCCNHBPVHCCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O/c1-14-2-4-15(5-3-14)12-22-19-11-6-16(13-23-19)20(25)24-18-9-7-17(21)8-10-18/h2-11,13H,12H2,1H3,(H,22,23)(H,24,25).
What are the key properties of N-(4-bromophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide?
N-(4-bromophenyl)-6-[(4-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)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109155992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).