N-(3-amino-4-pyridinyl)-3,5-dibromo-N-methylbenzamide

C13H11Br2N3O — CID 107971013

IUPACN-(3-amino-4-pyridinyl)-3,5-dibromo-N-methylbenzamide
SMILESCN(C(=O)c1cc(Br)cc(Br)c1)c1ccncc1N
InChIInChI=1S/C13H11Br2N3O/c1-18(12-2-3-17-7-11(12)16)13(19)8-4-9(14)6-10(15)5-8/h2-7H,16H2,1H3
InChIKeyZLUDYBPLURPWDN-UHFFFAOYSA-N
MW385.06 g/mol
LogP3.47
Rot. Bonds2

About N-(3-amino-4-pyridinyl)-3,5-dibromo-N-methylbenzamide

N-(3-amino-4-pyridinyl)-3,5-dibromo-N-methylbenzamide (PubChem CID 107971013) has the molecular formula C13H11Br2N3O and a molecular weight of 385.06 g/mol. Its IUPAC name is N-(3-amino-4-pyridinyl)-3,5-dibromo-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-pyridinyl)-3,5-dibromo-N-methylbenzamide
PubChem CID107971013
Molecular FormulaC13H11Br2N3O
Molecular Weight385.06 g/mol
Exact Mass382.93
IUPAC NameN-(3-amino-4-pyridinyl)-3,5-dibromo-N-methylbenzamide
SMILESCN(C(=O)c1cc(Br)cc(Br)c1)c1ccncc1N
InChIInChI=1S/C13H11Br2N3O/c1-18(12-2-3-17-7-11(12)16)13(19)8-4-9(14)6-10(15)5-8/h2-7H,16H2,1H3
InChIKeyZLUDYBPLURPWDN-UHFFFAOYSA-N
XLogP3.47
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.06
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-pyridinyl)-N,3,5-trimethylbenzamide
CID 61359205
N-(3-amino-4-pyridinyl)-3,4-dichloro-N-methylbenzamide
CID 61358233
N-(3-amino-4-pyridinyl)-5-bromo-2-hydroxy-N-methylbenzamide
CID 107729224
N-(3-amino-4-pyridinyl)-5-bromo-N,2-dimethylbenzamide
CID 65306033
N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzamide
CID 61360177
N-(3-amino-4-pyridinyl)-3-chloro-4-hydroxy-N-methylbenzamide
CID 61357841
1-(3-amino-4-pyridinyl)-1-methylurea
CID 61357275
N-(3-amino-4-pyridinyl)-3-chloro-N-methylpyridine-4-carboxamide
CID 66462789
N-(3-amino-4-pyridinyl)-N,2,5-trimethylfuran-3-carboxamide
CID 61358427
N-(3-amino-4-pyridinyl)-3-methoxy-N-methylpyridine-4-carboxamide
CID 105063003
N-(3-amino-4-pyridinyl)-2,4-dimethoxy-N-methylbenzamide
CID 61359400
4-N,4-N-dimethylpyridine-3,4-diamine
CID 14088946

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-pyridinyl)-3,5-dibromo-N-methylbenzamide?
The IUPAC name of N-(3-amino-4-pyridinyl)-3,5-dibromo-N-methylbenzamide (CID 107971013) is N-(3-amino-4-pyridinyl)-3,5-dibromo-N-methylbenzamide.
What is the SMILES notation for N-(3-amino-4-pyridinyl)-3,5-dibromo-N-methylbenzamide?
The canonical SMILES for N-(3-amino-4-pyridinyl)-3,5-dibromo-N-methylbenzamide is CN(C(=O)c1cc(Br)cc(Br)c1)c1ccncc1N.
What is the InChIKey of N-(3-amino-4-pyridinyl)-3,5-dibromo-N-methylbenzamide?
The InChIKey is ZLUDYBPLURPWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2N3O/c1-18(12-2-3-17-7-11(12)16)13(19)8-4-9(14)6-10(15)5-8/h2-7H,16H2,1H3.
What are the key properties of N-(3-amino-4-pyridinyl)-3,5-dibromo-N-methylbenzamide?
N-(3-amino-4-pyridinyl)-3,5-dibromo-N-methylbenzamide has a molecular weight of 385.06 g/mol, XLogP of 3.47, 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)-3,5-dibromo-N-methylbenzamide is sourced from PubChem (CID 107971013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).