3-amino-4-bromo-N-methyl-N-(1-pyridin-4-ylethyl)benzamide

C15H16BrN3O — CID 61116655

IUPAC3-amino-4-bromo-N-methyl-N-(1-pyridin-4-ylethyl)benzamide
SMILESCC(c1ccncc1)N(C)C(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C15H16BrN3O/c1-10(11-5-7-18-8-6-11)19(2)15(20)12-3-4-13(16)14(17)9-12/h3-10H,17H2,1-2H3
InChIKeyTZQYORQSAVQBOU-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.26
Rot. Bonds3

About 3-amino-4-bromo-N-methyl-N-(1-pyridin-4-ylethyl)benzamide

3-amino-4-bromo-N-methyl-N-(1-pyridin-4-ylethyl)benzamide (PubChem CID 61116655) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 3-amino-4-bromo-N-methyl-N-(1-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-methyl-N-(1-pyridin-4-ylethyl)benzamide
PubChem CID61116655
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name3-amino-4-bromo-N-methyl-N-(1-pyridin-4-ylethyl)benzamide
SMILESCC(c1ccncc1)N(C)C(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C15H16BrN3O/c1-10(11-5-7-18-8-6-11)19(2)15(20)12-3-4-13(16)14(17)9-12/h3-10H,17H2,1-2H3
InChIKeyTZQYORQSAVQBOU-UHFFFAOYSA-N
XLogP3.26
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,5-dibromo-4-hydroxy-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 97326605
3-amino-4-bromo-N-butan-2-yl-N-methylbenzamide
CID 61093398
N-methyl-N-(1-pyridin-4-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998577
3-amino-4-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
CID 61105778
4-acetamido-N-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 60571357
N-methyl-N-[(1S)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 93375712
N-methyl-N-(1-pyridin-4-ylethyl)-7,8-dihydronaphthalene-2-carboxamide
CID 102563215
4-amino-N,3-dimethyl-N-(1-phenylethyl)benzamide
CID 60939381
4-amino-N,5-dimethyl-N-(1-pyridin-4-ylethyl)thiophene-2-carboxamide
CID 61114386
3-amino-4-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 61114914
N-methyl-4-(phenylcarbamoylamino)-N-(1-pyridin-4-ylethyl)benzamide
CID 60571084
4-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)benzamide
CID 115745848

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-methyl-N-(1-pyridin-4-ylethyl)benzamide?
The IUPAC name of 3-amino-4-bromo-N-methyl-N-(1-pyridin-4-ylethyl)benzamide (CID 61116655) is 3-amino-4-bromo-N-methyl-N-(1-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-methyl-N-(1-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 3-amino-4-bromo-N-methyl-N-(1-pyridin-4-ylethyl)benzamide is CC(c1ccncc1)N(C)C(=O)c1ccc(Br)c(N)c1.
What is the InChIKey of 3-amino-4-bromo-N-methyl-N-(1-pyridin-4-ylethyl)benzamide?
The InChIKey is TZQYORQSAVQBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-10(11-5-7-18-8-6-11)19(2)15(20)12-3-4-13(16)14(17)9-12/h3-10H,17H2,1-2H3.
What are the key properties of 3-amino-4-bromo-N-methyl-N-(1-pyridin-4-ylethyl)benzamide?
3-amino-4-bromo-N-methyl-N-(1-pyridin-4-ylethyl)benzamide has a molecular weight of 334.22 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-methyl-N-(1-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 61116655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).