N-(3-amino-4-pyridinyl)-5-bromo-N,2-dimethylbenzamide

C14H14BrN3O — CID 65306033

IUPACN-(3-amino-4-pyridinyl)-5-bromo-N,2-dimethylbenzamide
SMILESCc1ccc(Br)cc1C(=O)N(C)c1ccncc1N
InChIInChI=1S/C14H14BrN3O/c1-9-3-4-10(15)7-11(9)14(19)18(2)13-5-6-17-8-12(13)16/h3-8H,16H2,1-2H3
InChIKeyOCVUXLAAJGESMU-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.01
Rot. Bonds2

About N-(3-amino-4-pyridinyl)-5-bromo-N,2-dimethylbenzamide

N-(3-amino-4-pyridinyl)-5-bromo-N,2-dimethylbenzamide (PubChem CID 65306033) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is N-(3-amino-4-pyridinyl)-5-bromo-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-pyridinyl)-5-bromo-N,2-dimethylbenzamide
PubChem CID65306033
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC NameN-(3-amino-4-pyridinyl)-5-bromo-N,2-dimethylbenzamide
SMILESCc1ccc(Br)cc1C(=O)N(C)c1ccncc1N
InChIInChI=1S/C14H14BrN3O/c1-9-3-4-10(15)7-11(9)14(19)18(2)13-5-6-17-8-12(13)16/h3-8H,16H2,1-2H3
InChIKeyOCVUXLAAJGESMU-UHFFFAOYSA-N
XLogP3.01
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-pyridinyl)-5-bromo-2-hydroxy-N-methylbenzamide
CID 107729224
N-(3-amino-4-pyridinyl)-3,5-dibromo-N-methylbenzamide
CID 107971013
N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzamide
CID 61360177
N-(3-amino-4-pyridinyl)-N,2,5-trimethylfuran-3-carboxamide
CID 61358427
N-(3-amino-4-pyridinyl)-N,3,5-trimethylbenzamide
CID 61359205
N-(3-amino-4-pyridinyl)-3-chloro-N-methylpyridine-4-carboxamide
CID 66462789
N-(3-amino-4-pyridinyl)-3-methoxy-N-methylpyridine-4-carboxamide
CID 105063003
1-(3-amino-4-pyridinyl)-1-methylurea
CID 61357275
5-bromo-N-[4-(dimethylamino)-3-pyridinyl]-2-methylbenzamide
CID 65311874
2-[(5-bromo-2-methylbenzoyl)-methylamino]benzoic acid
CID 65306621
2-amino-4-bromo-N-methyl-N-(2-methylphenyl)benzamide
CID 79721752
N-(3-amino-4-pyridinyl)-2,4-dimethoxy-N-methylbenzamide
CID 61359400

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-pyridinyl)-5-bromo-N,2-dimethylbenzamide?
The IUPAC name of N-(3-amino-4-pyridinyl)-5-bromo-N,2-dimethylbenzamide (CID 65306033) is N-(3-amino-4-pyridinyl)-5-bromo-N,2-dimethylbenzamide.
What is the SMILES notation for N-(3-amino-4-pyridinyl)-5-bromo-N,2-dimethylbenzamide?
The canonical SMILES for N-(3-amino-4-pyridinyl)-5-bromo-N,2-dimethylbenzamide is Cc1ccc(Br)cc1C(=O)N(C)c1ccncc1N.
What is the InChIKey of N-(3-amino-4-pyridinyl)-5-bromo-N,2-dimethylbenzamide?
The InChIKey is OCVUXLAAJGESMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-9-3-4-10(15)7-11(9)14(19)18(2)13-5-6-17-8-12(13)16/h3-8H,16H2,1-2H3.
What are the key properties of N-(3-amino-4-pyridinyl)-5-bromo-N,2-dimethylbenzamide?
N-(3-amino-4-pyridinyl)-5-bromo-N,2-dimethylbenzamide has a molecular weight of 320.19 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-pyridinyl)-5-bromo-N,2-dimethylbenzamide is sourced from PubChem (CID 65306033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).