N-(2-bromophenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide

C20H18BrN3O — CID 109210613

IUPACN-(2-bromophenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
SMILESCc1ccc(CNc2ccnc(C(=O)Nc3ccccc3Br)c2)cc1
InChIInChI=1S/C20H18BrN3O/c1-14-6-8-15(9-7-14)13-23-16-10-11-22-19(12-16)20(25)24-18-5-3-2-4-17(18)21/h2-12H,13H2,1H3,(H,22,23)(H,24,25)
InChIKeyQVWDLNFJINGEQH-UHFFFAOYSA-N
MW396.29 g/mol
LogP5.02
Rot. Bonds5

About N-(2-bromophenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide

N-(2-bromophenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide (PubChem CID 109210613) has the molecular formula C20H18BrN3O and a molecular weight of 396.29 g/mol. Its IUPAC name is N-(2-bromophenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
PubChem CID109210613
Molecular FormulaC20H18BrN3O
Molecular Weight396.29 g/mol
Exact Mass395.06
IUPAC NameN-(2-bromophenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
SMILESCc1ccc(CNc2ccnc(C(=O)Nc3ccccc3Br)c2)cc1
InChIInChI=1S/C20H18BrN3O/c1-14-6-8-15(9-7-14)13-23-16-10-11-22-19(12-16)20(25)24-18-5-3-2-4-17(18)21/h2-12H,13H2,1H3,(H,22,23)(H,24,25)
InChIKeyQVWDLNFJINGEQH-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-(2-bromophenyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210139
N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210580
N-(2-bromo-4-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213210
4-(benzylamino)-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide
CID 109209889
4-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109211894
N-[(2-methylphenyl)methyl]-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109209919
N-(2,3-dimethylphenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109213435
N-(2,5-dimethylphenyl)-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210329
N-(2-bromo-5-methylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 82750648
N-cyclopropyl-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109201706
N-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212313
N-(2,3-dimethylphenyl)-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212284

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide?
The IUPAC name of N-(2-bromophenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide (CID 109210613) is N-(2-bromophenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide is Cc1ccc(CNc2ccnc(C(=O)Nc3ccccc3Br)c2)cc1.
What is the InChIKey of N-(2-bromophenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide?
The InChIKey is QVWDLNFJINGEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O/c1-14-6-8-15(9-7-14)13-23-16-10-11-22-19(12-16)20(25)24-18-5-3-2-4-17(18)21/h2-12H,13H2,1H3,(H,22,23)(H,24,25).
What are the key properties of N-(2-bromophenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide?
N-(2-bromophenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-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-(2-bromophenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109210613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).