2-bromo-N-[6-[butyl(methyl)amino]-3-pyridinyl]benzamide

C17H20BrN3O — CID 113015333

IUPAC2-bromo-N-[6-[butyl(methyl)amino]-3-pyridinyl]benzamide
SMILESCCCCN(C)c1ccc(NC(=O)c2ccccc2Br)cn1
InChIInChI=1S/C17H20BrN3O/c1-3-4-11-21(2)16-10-9-13(12-19-16)20-17(22)14-7-5-6-8-15(14)18/h5-10,12H,3-4,11H2,1-2H3,(H,20,22)
InChIKeyMCIABWALNTZBDC-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.33
Rot. Bonds6

About 2-bromo-N-[6-[butyl(methyl)amino]-3-pyridinyl]benzamide

2-bromo-N-[6-[butyl(methyl)amino]-3-pyridinyl]benzamide (PubChem CID 113015333) has the molecular formula C17H20BrN3O and a molecular weight of 362.27 g/mol. Its IUPAC name is 2-bromo-N-[6-[butyl(methyl)amino]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[6-[butyl(methyl)amino]-3-pyridinyl]benzamide
PubChem CID113015333
Molecular FormulaC17H20BrN3O
Molecular Weight362.27 g/mol
Exact Mass361.08
IUPAC Name2-bromo-N-[6-[butyl(methyl)amino]-3-pyridinyl]benzamide
SMILESCCCCN(C)c1ccc(NC(=O)c2ccccc2Br)cn1
InChIInChI=1S/C17H20BrN3O/c1-3-4-11-21(2)16-10-9-13(12-19-16)20-17(22)14-7-5-6-8-15(14)18/h5-10,12H,3-4,11H2,1-2H3,(H,20,22)
InChIKeyMCIABWALNTZBDC-UHFFFAOYSA-N
XLogP4.33
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)-N-[6-[butyl(methyl)amino]-3-pyridinyl]acetamide
CID 113015385
N-[6-[butyl(methyl)amino]-3-pyridinyl]-2-phenylacetamide
CID 113015350
N-[6-[butyl(methyl)amino]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113015372
2-bromo-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide
CID 113010719
2-amino-N-[6-(dimethylamino)-3-pyridinyl]benzamide
CID 61215269
N-[6-[butyl(methyl)amino]-3-pyridinyl]oxane-4-carboxamide
CID 113015387
2-bromo-N-[6-(tert-butylamino)-3-pyridinyl]benzamide
CID 113014773
N-[4-[butyl(methyl)amino]phenyl]-2-methylbenzamide
CID 112985297
2-[butyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53093984
2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]benzoic acid
CID 60941938
2-bromo-N-[6-(dimethylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 103754100
5-[butyl(methyl)amino]-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 109288366

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[6-[butyl(methyl)amino]-3-pyridinyl]benzamide?
The IUPAC name of 2-bromo-N-[6-[butyl(methyl)amino]-3-pyridinyl]benzamide (CID 113015333) is 2-bromo-N-[6-[butyl(methyl)amino]-3-pyridinyl]benzamide.
What is the SMILES notation for 2-bromo-N-[6-[butyl(methyl)amino]-3-pyridinyl]benzamide?
The canonical SMILES for 2-bromo-N-[6-[butyl(methyl)amino]-3-pyridinyl]benzamide is CCCCN(C)c1ccc(NC(=O)c2ccccc2Br)cn1.
What is the InChIKey of 2-bromo-N-[6-[butyl(methyl)amino]-3-pyridinyl]benzamide?
The InChIKey is MCIABWALNTZBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O/c1-3-4-11-21(2)16-10-9-13(12-19-16)20-17(22)14-7-5-6-8-15(14)18/h5-10,12H,3-4,11H2,1-2H3,(H,20,22).
What are the key properties of 2-bromo-N-[6-[butyl(methyl)amino]-3-pyridinyl]benzamide?
2-bromo-N-[6-[butyl(methyl)amino]-3-pyridinyl]benzamide has a molecular weight of 362.27 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[6-[butyl(methyl)amino]-3-pyridinyl]benzamide is sourced from PubChem (CID 113015333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).