2-bromo-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide

C16H19BrN4O — CID 113010719

IUPAC2-bromo-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide
SMILESCN(C)CCNc1ccc(NC(=O)c2ccccc2Br)cn1
InChIInChI=1S/C16H19BrN4O/c1-21(2)10-9-18-15-8-7-12(11-19-15)20-16(22)13-5-3-4-6-14(13)17/h3-8,11H,9-10H2,1-2H3,(H,18,19)(H,20,22)
InChIKeyWGQZOXHOJHKYGO-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.07
Rot. Bonds6

About 2-bromo-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide

2-bromo-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide (PubChem CID 113010719) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is 2-bromo-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide
PubChem CID113010719
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC Name2-bromo-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide
SMILESCN(C)CCNc1ccc(NC(=O)c2ccccc2Br)cn1
InChIInChI=1S/C16H19BrN4O/c1-21(2)10-9-18-15-8-7-12(11-19-15)20-16(22)13-5-3-4-6-14(13)17/h3-8,11H,9-10H2,1-2H3,(H,18,19)(H,20,22)
InChIKeyWGQZOXHOJHKYGO-UHFFFAOYSA-N
XLogP3.07
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide
CID 113010730
2-bromo-N-[6-(tert-butylamino)-3-pyridinyl]benzamide
CID 113014773
N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]butanamide
CID 113010701
2-bromo-N-[6-[butyl(methyl)amino]-3-pyridinyl]benzamide
CID 113015333
2-bromo-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113011315
ethyl N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]carbamate
CID 113010767
2-bromo-N-[6-(4-fluoroanilino)-3-pyridinyl]benzamide
CID 113018308
N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]cyclobutanecarboxamide
CID 113010772
N-(2-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109154344
N-[6-(2-hydroxypropylamino)-3-pyridinyl]-2-methylbenzamide
CID 82022480
2-chloro-N-[6-(pentylamino)-3-pyridinyl]benzamide
CID 113015233
3-chloro-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzamide
CID 113010961

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide?
The IUPAC name of 2-bromo-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide (CID 113010719) is 2-bromo-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide.
What is the SMILES notation for 2-bromo-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide?
The canonical SMILES for 2-bromo-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide is CN(C)CCNc1ccc(NC(=O)c2ccccc2Br)cn1.
What is the InChIKey of 2-bromo-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide?
The InChIKey is WGQZOXHOJHKYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c1-21(2)10-9-18-15-8-7-12(11-19-15)20-16(22)13-5-3-4-6-14(13)17/h3-8,11H,9-10H2,1-2H3,(H,18,19)(H,20,22).
What are the key properties of 2-bromo-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide?
2-bromo-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide has a molecular weight of 363.26 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide is sourced from PubChem (CID 113010719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).