N-(6-amino-3-pyridinyl)-2-[(2-bromophenyl)methyl]butanamide

C16H18BrN3O — CID 119515590

IUPACN-(6-amino-3-pyridinyl)-2-[(2-bromophenyl)methyl]butanamide
SMILESCCC(Cc1ccccc1Br)C(=O)Nc1ccc(N)nc1
InChIInChI=1S/C16H18BrN3O/c1-2-11(9-12-5-3-4-6-14(12)17)16(21)20-13-7-8-15(18)19-10-13/h3-8,10-11H,2,9H2,1H3,(H2,18,19)(H,20,21)
InChIKeyUQCJERPOVNOYCZ-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.63
Rot. Bonds5

About N-(6-amino-3-pyridinyl)-2-[(2-bromophenyl)methyl]butanamide

N-(6-amino-3-pyridinyl)-2-[(2-bromophenyl)methyl]butanamide (PubChem CID 119515590) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-2-[(2-bromophenyl)methyl]butanamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-2-[(2-bromophenyl)methyl]butanamide
PubChem CID119515590
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC NameN-(6-amino-3-pyridinyl)-2-[(2-bromophenyl)methyl]butanamide
SMILESCCC(Cc1ccccc1Br)C(=O)Nc1ccc(N)nc1
InChIInChI=1S/C16H18BrN3O/c1-2-11(9-12-5-3-4-6-14(12)17)16(21)20-13-7-8-15(18)19-10-13/h3-8,10-11H,2,9H2,1H3,(H2,18,19)(H,20,21)
InChIKeyUQCJERPOVNOYCZ-UHFFFAOYSA-N
XLogP3.63
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(6-amino-3-pyridinyl)-2-[(2-bromophenyl)methyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-amino-3-pyridinyl)-4-(2-bromophenyl)butanamide
CID 115274535
N-(6-amino-3-pyridinyl)-2-(cyclopentylmethyl)butanamide;hydrochloride
CID 119515073
N-(6-amino-3-pyridinyl)-2-methylpentanamide
CID 62899385
N-(6-amino-3-pyridinyl)-2-phenylpropanamide
CID 114028846
(2R)-2-[2-[(2-bromophenyl)methyl]butanoylamino]propanoic acid
CID 119370013
N-(6-amino-3-pyridinyl)-2-ethoxypropanamide
CID 119516288
N-(3-amino-2-methylpropyl)-2-[(2-bromophenyl)methyl]butanamide
CID 119996342
N-[2-(4-aminophenyl)ethyl]-2-[(2-bromophenyl)methyl]butanamide;hydrochloride
CID 119548358
N-(6-amino-3-pyridinyl)-2-(2-hydroxyphenyl)acetamide
CID 80741200
N-(3-amino-2-methylpropyl)-2-[(2-bromophenyl)methyl]butanamide;hydrochloride
CID 119996341
N-(6-amino-3-pyridinyl)-2-[(2-phenylacetyl)amino]pentanamide;hydrochloride
CID 119515245
N-(6-amino-3-pyridinyl)-3-methyl-2-phenylbutanamide;hydrochloride
CID 119515097

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-2-[(2-bromophenyl)methyl]butanamide?
The IUPAC name of N-(6-amino-3-pyridinyl)-2-[(2-bromophenyl)methyl]butanamide (CID 119515590) is N-(6-amino-3-pyridinyl)-2-[(2-bromophenyl)methyl]butanamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-2-[(2-bromophenyl)methyl]butanamide?
The canonical SMILES for N-(6-amino-3-pyridinyl)-2-[(2-bromophenyl)methyl]butanamide is CCC(Cc1ccccc1Br)C(=O)Nc1ccc(N)nc1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-2-[(2-bromophenyl)methyl]butanamide?
The InChIKey is UQCJERPOVNOYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-2-11(9-12-5-3-4-6-14(12)17)16(21)20-13-7-8-15(18)19-10-13/h3-8,10-11H,2,9H2,1H3,(H2,18,19)(H,20,21).
What are the key properties of N-(6-amino-3-pyridinyl)-2-[(2-bromophenyl)methyl]butanamide?
N-(6-amino-3-pyridinyl)-2-[(2-bromophenyl)methyl]butanamide has a molecular weight of 348.24 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-2-[(2-bromophenyl)methyl]butanamide is sourced from PubChem (CID 119515590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).