4-bromo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide

C16H16BrN3O2 — CID 8852438

IUPAC4-bromo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)NCc1cccnc1
InChIInChI=1S/C16H16BrN3O2/c17-14-5-3-13(4-6-14)16(22)19-9-7-15(21)20-11-12-2-1-8-18-10-12/h1-6,8,10H,7,9,11H2,(H,19,22)(H,20,21)
InChIKeyXCSUVPUMSMRCKF-UHFFFAOYSA-N
MW362.23 g/mol
LogP2.28
Rot. Bonds6

About 4-bromo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide

4-bromo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide (PubChem CID 8852438) has the molecular formula C16H16BrN3O2 and a molecular weight of 362.23 g/mol. Its IUPAC name is 4-bromo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
PubChem CID8852438
Molecular FormulaC16H16BrN3O2
Molecular Weight362.23 g/mol
Exact Mass361.04
IUPAC Name4-bromo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)NCc1cccnc1
InChIInChI=1S/C16H16BrN3O2/c17-14-5-3-13(4-6-14)16(22)19-9-7-15(21)20-11-12-2-1-8-18-10-12/h1-6,8,10H,7,9,11H2,(H,19,22)(H,20,21)
InChIKeyXCSUVPUMSMRCKF-UHFFFAOYSA-N
XLogP2.28
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-4-(tetrazol-1-yl)benzamide
CID 47076373
5-[(4-bromophenoxy)methyl]-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]furan-2-carboxamide
CID 154857551
4-bromo-N-[3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropyl]benzamide
CID 78770733
4-bromo-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide
CID 2530960
2-(5-bromo-3-pyridinyl)-N-(pyridin-3-ylmethyl)acetamide
CID 142612479
2,5-dichloro-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 47076367
4-bromo-N-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]benzamide
CID 25402488
3-(3-bromophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 127122248
6-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 66463466
4-bromo-N-[3-[[3-(cyanomethoxy)phenyl]methylamino]-3-oxopropyl]benzamide
CID 86946585
3-(2,6-difluoroanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023616
4-tert-butyl-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide
CID 27554699

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide?
The IUPAC name of 4-bromo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide (CID 8852438) is 4-bromo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide is O=C(CCNC(=O)c1ccc(Br)cc1)NCc1cccnc1.
What is the InChIKey of 4-bromo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide?
The InChIKey is XCSUVPUMSMRCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O2/c17-14-5-3-13(4-6-14)16(22)19-9-7-15(21)20-11-12-2-1-8-18-10-12/h1-6,8,10H,7,9,11H2,(H,19,22)(H,20,21).
What are the key properties of 4-bromo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide?
4-bromo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide has a molecular weight of 362.23 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide is sourced from PubChem (CID 8852438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).