4-(benzylamino)-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide

C20H18BrN3O — CID 109209889

IUPAC4-(benzylamino)-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1cc(NCc2ccccc2)ccn1
InChIInChI=1S/C20H18BrN3O/c1-14-11-16(21)7-8-18(14)24-20(25)19-12-17(9-10-22-19)23-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,22,23)(H,24,25)
InChIKeyBSAFLYOIAHNMMQ-UHFFFAOYSA-N
MW396.29 g/mol
LogP5.02
Rot. Bonds5

About 4-(benzylamino)-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide

4-(benzylamino)-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide (PubChem CID 109209889) has the molecular formula C20H18BrN3O and a molecular weight of 396.29 g/mol. Its IUPAC name is 4-(benzylamino)-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(benzylamino)-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide
PubChem CID109209889
Molecular FormulaC20H18BrN3O
Molecular Weight396.29 g/mol
Exact Mass395.06
IUPAC Name4-(benzylamino)-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1cc(NCc2ccccc2)ccn1
InChIInChI=1S/C20H18BrN3O/c1-14-11-16(21)7-8-18(14)24-20(25)19-12-17(9-10-22-19)23-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,22,23)(H,24,25)
InChIKeyBSAFLYOIAHNMMQ-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-bromo-2-methylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62186935
N-(4-bromo-2-methylphenyl)-4-(tert-butylamino)pyridine-2-carboxamide
CID 109217034
2-(benzylamino)-N-(4-bromo-2-methylphenyl)pyridine-4-carboxamide
CID 109169578
4-(benzylamino)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 109209829
N-(2-bromophenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210613
N-(2-bromo-4-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213210
N-(2,5-dimethylphenyl)-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210329
N-(2-bromophenyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210139
N-(2,3-dimethylphenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109213435
N-(2,4-dimethylphenyl)-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109211300
N-[4-(diethylamino)-2-methylphenyl]-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213230
methyl 3-[[4-(benzylamino)pyridine-2-carbonyl]amino]-4-chlorobenzoate
CID 109209878

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(benzylamino)-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide (CID 109209889) is 4-(benzylamino)-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(benzylamino)-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(benzylamino)-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide is Cc1cc(Br)ccc1NC(=O)c1cc(NCc2ccccc2)ccn1.
What is the InChIKey of 4-(benzylamino)-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide?
The InChIKey is BSAFLYOIAHNMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O/c1-14-11-16(21)7-8-18(14)24-20(25)19-12-17(9-10-22-19)23-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 4-(benzylamino)-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide?
4-(benzylamino)-N-(4-bromo-2-methylphenyl)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 4-(benzylamino)-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109209889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).