N'-(4-bromobenzoyl)-3-(pyridin-3-ylmethoxy)benzohydrazide

C20H16BrN3O3 — CID 78888043

IUPACN'-(4-bromobenzoyl)-3-(pyridin-3-ylmethoxy)benzohydrazide
SMILESO=C(NNC(=O)c1cccc(OCc2cccnc2)c1)c1ccc(Br)cc1
InChIInChI=1S/C20H16BrN3O3/c21-17-8-6-15(7-9-17)19(25)23-24-20(26)16-4-1-5-18(11-16)27-13-14-3-2-10-22-12-14/h1-12H,13H2,(H,23,25)(H,24,26)
InChIKeyMPYDJDYKWXZEFM-UHFFFAOYSA-N
MW426.27 g/mol
LogP3.50
Rot. Bonds5

About N'-(4-bromobenzoyl)-3-(pyridin-3-ylmethoxy)benzohydrazide

N'-(4-bromobenzoyl)-3-(pyridin-3-ylmethoxy)benzohydrazide (PubChem CID 78888043) has the molecular formula C20H16BrN3O3 and a molecular weight of 426.27 g/mol. Its IUPAC name is N'-(4-bromobenzoyl)-3-(pyridin-3-ylmethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-(4-bromobenzoyl)-3-(pyridin-3-ylmethoxy)benzohydrazide
PubChem CID78888043
Molecular FormulaC20H16BrN3O3
Molecular Weight426.27 g/mol
Exact Mass425.04
IUPAC NameN'-(4-bromobenzoyl)-3-(pyridin-3-ylmethoxy)benzohydrazide
SMILESO=C(NNC(=O)c1cccc(OCc2cccnc2)c1)c1ccc(Br)cc1
InChIInChI=1S/C20H16BrN3O3/c21-17-8-6-15(7-9-17)19(25)23-24-20(26)16-4-1-5-18(11-16)27-13-14-3-2-10-22-12-14/h1-12H,13H2,(H,23,25)(H,24,26)
InChIKeyMPYDJDYKWXZEFM-UHFFFAOYSA-N
XLogP3.50
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.27
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide
CID 146154896
N'-[3-[(3-methylphenyl)methoxy]benzoyl]pyridine-3-carbohydrazide
CID 35153545
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
3,4-dichloro-N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]benzamide
CID 78889118
N-[2-(ethylamino)ethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 119506040
4-chloro-2-methoxy-N'-[3-(pyridin-3-ylmethoxy)benzoyl]benzohydrazide
CID 55792325
N-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55772208
N-[(1R)-1-cyano-2-methylpropyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 86815583
N-[3-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]pyridine-3-carboxamide
CID 78863694
3-bromo-N'-(4-pyridin-3-yloxybenzoyl)benzohydrazide
CID 58858303
3-(pyridin-3-ylmethoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 46490817
N-[3-(aminomethyl)pentan-3-yl]-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride
CID 119569679

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromobenzoyl)-3-(pyridin-3-ylmethoxy)benzohydrazide?
The IUPAC name of N'-(4-bromobenzoyl)-3-(pyridin-3-ylmethoxy)benzohydrazide (CID 78888043) is N'-(4-bromobenzoyl)-3-(pyridin-3-ylmethoxy)benzohydrazide.
What is the SMILES notation for N'-(4-bromobenzoyl)-3-(pyridin-3-ylmethoxy)benzohydrazide?
The canonical SMILES for N'-(4-bromobenzoyl)-3-(pyridin-3-ylmethoxy)benzohydrazide is O=C(NNC(=O)c1cccc(OCc2cccnc2)c1)c1ccc(Br)cc1.
What is the InChIKey of N'-(4-bromobenzoyl)-3-(pyridin-3-ylmethoxy)benzohydrazide?
The InChIKey is MPYDJDYKWXZEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3O3/c21-17-8-6-15(7-9-17)19(25)23-24-20(26)16-4-1-5-18(11-16)27-13-14-3-2-10-22-12-14/h1-12H,13H2,(H,23,25)(H,24,26).
What are the key properties of N'-(4-bromobenzoyl)-3-(pyridin-3-ylmethoxy)benzohydrazide?
N'-(4-bromobenzoyl)-3-(pyridin-3-ylmethoxy)benzohydrazide has a molecular weight of 426.27 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromobenzoyl)-3-(pyridin-3-ylmethoxy)benzohydrazide is sourced from PubChem (CID 78888043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).