N-[5-(benzylamino)-2-pyridinyl]-2-(2-bromophenyl)acetamide

C20H18BrN3O — CID 113026424

IUPACN-[5-(benzylamino)-2-pyridinyl]-2-(2-bromophenyl)acetamide
SMILESO=C(Cc1ccccc1Br)Nc1ccc(NCc2ccccc2)cn1
InChIInChI=1S/C20H18BrN3O/c21-18-9-5-4-8-16(18)12-20(25)24-19-11-10-17(14-23-19)22-13-15-6-2-1-3-7-15/h1-11,14,22H,12-13H2,(H,23,24,25)
InChIKeyHSFRGNDFHLOOFL-UHFFFAOYSA-N
MW396.29 g/mol
LogP4.64
Rot. Bonds6

About N-[5-(benzylamino)-2-pyridinyl]-2-(2-bromophenyl)acetamide

N-[5-(benzylamino)-2-pyridinyl]-2-(2-bromophenyl)acetamide (PubChem CID 113026424) has the molecular formula C20H18BrN3O and a molecular weight of 396.29 g/mol. Its IUPAC name is N-[5-(benzylamino)-2-pyridinyl]-2-(2-bromophenyl)acetamide.

Molecular Properties

Compound NameN-[5-(benzylamino)-2-pyridinyl]-2-(2-bromophenyl)acetamide
PubChem CID113026424
Molecular FormulaC20H18BrN3O
Molecular Weight396.29 g/mol
Exact Mass395.06
IUPAC NameN-[5-(benzylamino)-2-pyridinyl]-2-(2-bromophenyl)acetamide
SMILESO=C(Cc1ccccc1Br)Nc1ccc(NCc2ccccc2)cn1
InChIInChI=1S/C20H18BrN3O/c21-18-9-5-4-8-16(18)12-20(25)24-19-11-10-17(14-23-19)22-13-15-6-2-1-3-7-15/h1-11,14,22H,12-13H2,(H,23,24,25)
InChIKeyHSFRGNDFHLOOFL-UHFFFAOYSA-N
XLogP4.64
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)-N-[6-(ethylamino)-3-pyridinyl]acetamide
CID 115268604
2-(2-bromophenyl)-N-[5-(4-methylanilino)-2-pyridinyl]acetamide
CID 113031585
2-(2-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide
CID 113024287
N-[5-(benzylamino)-2-pyridinyl]benzamide
CID 113026368
N-[5-(benzylamino)-2-pyridinyl]-2,2-dimethylpropanamide
CID 113026364
2-(2-methylphenyl)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide
CID 113026630
N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113027443
N-[5-(4-bromoanilino)-2-pyridinyl]-2-phenylacetamide
CID 113033886
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-phenylacetamide
CID 113012292
2-(2-methylphenyl)-N-[5-(3-phenylpropylamino)-2-pyridinyl]acetamide
CID 113029843
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]propanamide
CID 113026477
N-[6-(benzylamino)-3-pyridinyl]propanamide
CID 110178661

Frequently Asked Questions

What is the IUPAC name of N-[5-(benzylamino)-2-pyridinyl]-2-(2-bromophenyl)acetamide?
The IUPAC name of N-[5-(benzylamino)-2-pyridinyl]-2-(2-bromophenyl)acetamide (CID 113026424) is N-[5-(benzylamino)-2-pyridinyl]-2-(2-bromophenyl)acetamide.
What is the SMILES notation for N-[5-(benzylamino)-2-pyridinyl]-2-(2-bromophenyl)acetamide?
The canonical SMILES for N-[5-(benzylamino)-2-pyridinyl]-2-(2-bromophenyl)acetamide is O=C(Cc1ccccc1Br)Nc1ccc(NCc2ccccc2)cn1.
What is the InChIKey of N-[5-(benzylamino)-2-pyridinyl]-2-(2-bromophenyl)acetamide?
The InChIKey is HSFRGNDFHLOOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O/c21-18-9-5-4-8-16(18)12-20(25)24-19-11-10-17(14-23-19)22-13-15-6-2-1-3-7-15/h1-11,14,22H,12-13H2,(H,23,24,25).
What are the key properties of N-[5-(benzylamino)-2-pyridinyl]-2-(2-bromophenyl)acetamide?
N-[5-(benzylamino)-2-pyridinyl]-2-(2-bromophenyl)acetamide has a molecular weight of 396.29 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(benzylamino)-2-pyridinyl]-2-(2-bromophenyl)acetamide is sourced from PubChem (CID 113026424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).