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

C20H18BrN3O — CID 109169578

IUPAC2-(benzylamino)-N-(4-bromo-2-methylphenyl)pyridine-4-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1ccnc(NCc2ccccc2)c1
InChIInChI=1S/C20H18BrN3O/c1-14-11-17(21)7-8-18(14)24-20(25)16-9-10-22-19(12-16)23-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,22,23)(H,24,25)
InChIKeyGSNUPGPBJHPCPT-UHFFFAOYSA-N
MW396.29 g/mol
LogP5.02
Rot. Bonds5

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

2-(benzylamino)-N-(4-bromo-2-methylphenyl)pyridine-4-carboxamide (PubChem CID 109169578) has the molecular formula C20H18BrN3O and a molecular weight of 396.29 g/mol. Its IUPAC name is 2-(benzylamino)-N-(4-bromo-2-methylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(benzylamino)-N-(4-bromo-2-methylphenyl)pyridine-4-carboxamide
PubChem CID109169578
Molecular FormulaC20H18BrN3O
Molecular Weight396.29 g/mol
Exact Mass395.06
IUPAC Name2-(benzylamino)-N-(4-bromo-2-methylphenyl)pyridine-4-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1ccnc(NCc2ccccc2)c1
InChIInChI=1S/C20H18BrN3O/c1-14-11-17(21)7-8-18(14)24-20(25)16-9-10-22-19(12-16)23-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,22,23)(H,24,25)
InChIKeyGSNUPGPBJHPCPT-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)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171966
N-(4-bromo-2-methylphenyl)-2-(tert-butylamino)pyridine-4-carboxamide
CID 109175040
4-(benzylamino)-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide
CID 109209889
N-(2-bromophenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171963
2-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)pyridine-4-carboxamide
CID 109170960
2-(3-bromoanilino)-N-(2-methylphenyl)pyridine-4-carboxamide
CID 109176186
N-(2-ethoxyphenyl)-2-[(3-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169864
N-(4-bromo-2-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121056
2-(benzylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109169562
6-(benzylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109346550
2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109170966
N-(2-fluorophenyl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109171310

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-(4-bromo-2-methylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(benzylamino)-N-(4-bromo-2-methylphenyl)pyridine-4-carboxamide (CID 109169578) is 2-(benzylamino)-N-(4-bromo-2-methylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(benzylamino)-N-(4-bromo-2-methylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(benzylamino)-N-(4-bromo-2-methylphenyl)pyridine-4-carboxamide is Cc1cc(Br)ccc1NC(=O)c1ccnc(NCc2ccccc2)c1.
What is the InChIKey of 2-(benzylamino)-N-(4-bromo-2-methylphenyl)pyridine-4-carboxamide?
The InChIKey is GSNUPGPBJHPCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O/c1-14-11-17(21)7-8-18(14)24-20(25)16-9-10-22-19(12-16)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 2-(benzylamino)-N-(4-bromo-2-methylphenyl)pyridine-4-carboxamide?
2-(benzylamino)-N-(4-bromo-2-methylphenyl)pyridine-4-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 2-(benzylamino)-N-(4-bromo-2-methylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109169578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).