N-(6-amino-3-pyridinyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride

C16H19BrClN3O3 — CID 119515602

IUPACN-(6-amino-3-pyridinyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride
SMILESCCCOc1c(Br)cc(C(=O)Nc2ccc(N)nc2)cc1OC.Cl
InChIInChI=1S/C16H18BrN3O3.ClH/c1-3-6-23-15-12(17)7-10(8-13(15)22-2)16(21)20-11-4-5-14(18)19-9-11;/h4-5,7-9H,3,6H2,1-2H3,(H2,18,19)(H,20,21);1H
InChIKeyLUEBSYGIBPVEEQ-UHFFFAOYSA-N
MW416.70 g/mol
LogP3.90
Rot. Bonds6

About N-(6-amino-3-pyridinyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride

N-(6-amino-3-pyridinyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride (PubChem CID 119515602) has the molecular formula C16H19BrClN3O3 and a molecular weight of 416.70 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride
PubChem CID119515602
Molecular FormulaC16H19BrClN3O3
Molecular Weight416.70 g/mol
Exact Mass415.03
IUPAC NameN-(6-amino-3-pyridinyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride
SMILESCCCOc1c(Br)cc(C(=O)Nc2ccc(N)nc2)cc1OC.Cl
InChIInChI=1S/C16H18BrN3O3.ClH/c1-3-6-23-15-12(17)7-10(8-13(15)22-2)16(21)20-11-4-5-14(18)19-9-11;/h4-5,7-9H,3,6H2,1-2H3,(H2,18,19)(H,20,21);1H
InChIKeyLUEBSYGIBPVEEQ-UHFFFAOYSA-N
XLogP3.90
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.70
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(6-amino-3-pyridinyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride 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

3-bromo-N-(4-bromophenyl)-5-methoxy-4-propoxybenzamide
CID 5213088
3-bromo-N-(3,4-dimethylphenyl)-5-methoxy-4-propoxybenzamide
CID 5030458
3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide
CID 3931758
3-bromo-N-(4-tert-butylphenyl)-5-methoxy-4-propoxybenzamide
CID 7913907
3-bromo-N,5-dimethoxy-4-propoxybenzamide
CID 51279320
3-bromo-N-[3-(methanesulfonamido)-4-methoxyphenyl]-5-methoxy-4-propoxybenzamide
CID 37065224
3-bromo-5-methoxy-4-propoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55812552
3-bromo-N-(2,4-difluorophenyl)-5-methoxy-4-propoxybenzamide
CID 4814298
3-bromo-N-(3-cyanophenyl)-5-methoxy-4-propoxybenzamide
CID 2116480
3-bromo-5-methoxy-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-4-propoxybenzamide
CID 34258807
3-bromo-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide
CID 18076244
3-bromo-5-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide
CID 4797157

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride?
The IUPAC name of N-(6-amino-3-pyridinyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride (CID 119515602) is N-(6-amino-3-pyridinyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride?
The canonical SMILES for N-(6-amino-3-pyridinyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride is CCCOc1c(Br)cc(C(=O)Nc2ccc(N)nc2)cc1OC.Cl.
What is the InChIKey of N-(6-amino-3-pyridinyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride?
The InChIKey is LUEBSYGIBPVEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O3.ClH/c1-3-6-23-15-12(17)7-10(8-13(15)22-2)16(21)20-11-4-5-14(18)19-9-11;/h4-5,7-9H,3,6H2,1-2H3,(H2,18,19)(H,20,21);1H.
What are the key properties of N-(6-amino-3-pyridinyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride?
N-(6-amino-3-pyridinyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride has a molecular weight of 416.70 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride is sourced from PubChem (CID 119515602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).