4-bromo-N-[3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropyl]benzamide

C17H18BrN3O2 — CID 78770733

IUPAC4-bromo-N-[3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropyl]benzamide
SMILESCN(Cc1cccnc1)C(=O)CCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H18BrN3O2/c1-21(12-13-3-2-9-19-11-13)16(22)8-10-20-17(23)14-4-6-15(18)7-5-14/h2-7,9,11H,8,10,12H2,1H3,(H,20,23)
InChIKeyQBUKEZSJNMJXDW-UHFFFAOYSA-N
MW376.25 g/mol
LogP2.62
Rot. Bonds6

About 4-bromo-N-[3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropyl]benzamide

4-bromo-N-[3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropyl]benzamide (PubChem CID 78770733) has the molecular formula C17H18BrN3O2 and a molecular weight of 376.25 g/mol. Its IUPAC name is 4-bromo-N-[3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropyl]benzamide
PubChem CID78770733
Molecular FormulaC17H18BrN3O2
Molecular Weight376.25 g/mol
Exact Mass375.06
IUPAC Name4-bromo-N-[3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropyl]benzamide
SMILESCN(Cc1cccnc1)C(=O)CCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H18BrN3O2/c1-21(12-13-3-2-9-19-11-13)16(22)8-10-20-17(23)14-4-6-15(18)7-5-14/h2-7,9,11H,8,10,12H2,1H3,(H,20,23)
InChIKeyQBUKEZSJNMJXDW-UHFFFAOYSA-N
XLogP2.62
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(4-bromophenyl)methyl-methylamino]-3-oxopropyl]benzamide
CID 30877774
4-bromo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 8852438
N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide
CID 110743929
2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340
N-benzyl-N-methyl-3-(pyridin-3-ylmethylamino)propanamide
CID 109020395
4-methoxy-N-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 87010748
6-bromo-N-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 66463472
N-methyl-2-(methylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 43563676
tert-butyl N-[4-[methyl(pyridin-3-ylmethyl)amino]-4-oxobutyl]carbamate
CID 86907873
2-(tert-butylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 78986887
4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86932717
methyl 3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropanoate
CID 115174424

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropyl]benzamide?
The IUPAC name of 4-bromo-N-[3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropyl]benzamide (CID 78770733) is 4-bromo-N-[3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropyl]benzamide is CN(Cc1cccnc1)C(=O)CCNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropyl]benzamide?
The InChIKey is QBUKEZSJNMJXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O2/c1-21(12-13-3-2-9-19-11-13)16(22)8-10-20-17(23)14-4-6-15(18)7-5-14/h2-7,9,11H,8,10,12H2,1H3,(H,20,23).
What are the key properties of 4-bromo-N-[3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropyl]benzamide?
4-bromo-N-[3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropyl]benzamide has a molecular weight of 376.25 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 78770733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).