N-(5-bromo-2-pyridinyl)-4-(diethylaminomethyl)benzamide

C17H20BrN3O — CID 52636966

IUPACN-(5-bromo-2-pyridinyl)-4-(diethylaminomethyl)benzamide
SMILESCCN(CC)Cc1ccc(C(=O)Nc2ccc(Br)cn2)cc1
InChIInChI=1S/C17H20BrN3O/c1-3-21(4-2)12-13-5-7-14(8-6-13)17(22)20-16-10-9-15(18)11-19-16/h5-11H,3-4,12H2,1-2H3,(H,19,20,22)
InChIKeyCOLSNEAAAQQBBY-UHFFFAOYSA-N
MW362.27 g/mol
LogP3.94
Rot. Bonds6

About N-(5-bromo-2-pyridinyl)-4-(diethylaminomethyl)benzamide

N-(5-bromo-2-pyridinyl)-4-(diethylaminomethyl)benzamide (PubChem CID 52636966) has the molecular formula C17H20BrN3O and a molecular weight of 362.27 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-4-(diethylaminomethyl)benzamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-4-(diethylaminomethyl)benzamide
PubChem CID52636966
Molecular FormulaC17H20BrN3O
Molecular Weight362.27 g/mol
Exact Mass361.08
IUPAC NameN-(5-bromo-2-pyridinyl)-4-(diethylaminomethyl)benzamide
SMILESCCN(CC)Cc1ccc(C(=O)Nc2ccc(Br)cn2)cc1
InChIInChI=1S/C17H20BrN3O/c1-3-21(4-2)12-13-5-7-14(8-6-13)17(22)20-16-10-9-15(18)11-19-16/h5-11H,3-4,12H2,1-2H3,(H,19,20,22)
InChIKeyCOLSNEAAAQQBBY-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-4-(diethylaminomethyl)benzamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-4-(diethylaminomethyl)benzamide (CID 52636966) is N-(5-bromo-2-pyridinyl)-4-(diethylaminomethyl)benzamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-4-(diethylaminomethyl)benzamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-4-(diethylaminomethyl)benzamide is CCN(CC)Cc1ccc(C(=O)Nc2ccc(Br)cn2)cc1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-4-(diethylaminomethyl)benzamide?
The InChIKey is COLSNEAAAQQBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O/c1-3-21(4-2)12-13-5-7-14(8-6-13)17(22)20-16-10-9-15(18)11-19-16/h5-11H,3-4,12H2,1-2H3,(H,19,20,22).
What are the key properties of N-(5-bromo-2-pyridinyl)-4-(diethylaminomethyl)benzamide?
N-(5-bromo-2-pyridinyl)-4-(diethylaminomethyl)benzamide has a molecular weight of 362.27 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-4-(diethylaminomethyl)benzamide is sourced from PubChem (CID 52636966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).