N-(6-amino-3-pyridinyl)-4-(2-bromophenyl)butanamide

C15H16BrN3O — CID 115274535

IUPACN-(6-amino-3-pyridinyl)-4-(2-bromophenyl)butanamide
SMILESNc1ccc(NC(=O)CCCc2ccccc2Br)cn1
InChIInChI=1S/C15H16BrN3O/c16-13-6-2-1-4-11(13)5-3-7-15(20)19-12-8-9-14(17)18-10-12/h1-2,4,6,8-10H,3,5,7H2,(H2,17,18)(H,19,20)
InChIKeyCMXUVIIEIGCEAY-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.39
Rot. Bonds5

About N-(6-amino-3-pyridinyl)-4-(2-bromophenyl)butanamide

N-(6-amino-3-pyridinyl)-4-(2-bromophenyl)butanamide (PubChem CID 115274535) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-4-(2-bromophenyl)butanamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-4-(2-bromophenyl)butanamide
PubChem CID115274535
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC NameN-(6-amino-3-pyridinyl)-4-(2-bromophenyl)butanamide
SMILESNc1ccc(NC(=O)CCCc2ccccc2Br)cn1
InChIInChI=1S/C15H16BrN3O/c16-13-6-2-1-4-11(13)5-3-7-15(20)19-12-8-9-14(17)18-10-12/h1-2,4,6,8-10H,3,5,7H2,(H2,17,18)(H,19,20)
InChIKeyCMXUVIIEIGCEAY-UHFFFAOYSA-N
XLogP3.39
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-amino-3-pyridinyl)-3-(2-methylphenyl)propanamide
CID 62901141
N-(6-amino-3-pyridinyl)-2-(2-hydroxyphenyl)acetamide
CID 80741200
N-(6-amino-3-pyridinyl)-2-[(2-bromophenyl)methyl]butanamide
CID 119515590
N-(5-amino-2-pyridinyl)-3-(2-bromophenyl)propanamide
CID 115273754
5-(2-bromophenyl)pentanehydrazide
CID 116843802
N-(6-amino-3-pyridinyl)-3-ethoxypropanamide;hydrochloride
CID 119515208
N-(6-amino-3-pyridinyl)-N',N'-diethylpentanediamide;hydrochloride
CID 119515259
N-(6-amino-3-pyridinyl)-4-cyclopentylbutanamide;hydrochloride
CID 119516594
N-(6-amino-3-pyridinyl)-3-cyclopropylpropanamide
CID 119515078
N-(6-amino-3-pyridinyl)-N',N'-dipropylpentanediamide
CID 119516549
3-(2-bromophenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 47267332
N-(6-fluoro-3-pyridinyl)-4-phenylbutanamide
CID 103789587

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-4-(2-bromophenyl)butanamide?
The IUPAC name of N-(6-amino-3-pyridinyl)-4-(2-bromophenyl)butanamide (CID 115274535) is N-(6-amino-3-pyridinyl)-4-(2-bromophenyl)butanamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-4-(2-bromophenyl)butanamide?
The canonical SMILES for N-(6-amino-3-pyridinyl)-4-(2-bromophenyl)butanamide is Nc1ccc(NC(=O)CCCc2ccccc2Br)cn1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-4-(2-bromophenyl)butanamide?
The InChIKey is CMXUVIIEIGCEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c16-13-6-2-1-4-11(13)5-3-7-15(20)19-12-8-9-14(17)18-10-12/h1-2,4,6,8-10H,3,5,7H2,(H2,17,18)(H,19,20).
What are the key properties of N-(6-amino-3-pyridinyl)-4-(2-bromophenyl)butanamide?
N-(6-amino-3-pyridinyl)-4-(2-bromophenyl)butanamide has a molecular weight of 334.22 g/mol, XLogP of 3.39, 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)-4-(2-bromophenyl)butanamide is sourced from PubChem (CID 115274535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).