4-chloro-N'-(tripyridin-4-ylmethyl)benzohydrazide

C23H18ClN5O — CID 20696146

IUPAC4-chloro-N'-(tripyridin-4-ylmethyl)benzohydrazide
SMILESO=C(NNC(c1ccncc1)(c1ccncc1)c1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H18ClN5O/c24-21-3-1-17(2-4-21)22(30)28-29-23(18-5-11-25-12-6-18,19-7-13-26-14-8-19)20-9-15-27-16-10-20/h1-16,29H,(H,28,30)
InChIKeyWXDQPRJTHAVBIZ-UHFFFAOYSA-N
MW415.88 g/mol
LogP3.75
Rot. Bonds6

About 4-chloro-N'-(tripyridin-4-ylmethyl)benzohydrazide

4-chloro-N'-(tripyridin-4-ylmethyl)benzohydrazide (PubChem CID 20696146) has the molecular formula C23H18ClN5O and a molecular weight of 415.88 g/mol. Its IUPAC name is 4-chloro-N'-(tripyridin-4-ylmethyl)benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-(tripyridin-4-ylmethyl)benzohydrazide
PubChem CID20696146
Molecular FormulaC23H18ClN5O
Molecular Weight415.88 g/mol
Exact Mass415.12
IUPAC Name4-chloro-N'-(tripyridin-4-ylmethyl)benzohydrazide
SMILESO=C(NNC(c1ccncc1)(c1ccncc1)c1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H18ClN5O/c24-21-3-1-17(2-4-21)22(30)28-29-23(18-5-11-25-12-6-18,19-7-13-26-14-8-19)20-9-15-27-16-10-20/h1-16,29H,(H,28,30)
InChIKeyWXDQPRJTHAVBIZ-UHFFFAOYSA-N
XLogP3.75
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-chlorobenzoyl)pyridine-4-carbohydrazide
CID 960057
N'-(4-chlorobenzoyl)-4-pyridin-4-ylbenzohydrazide
CID 58858336
4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585280
N'-acetyl-4-chlorobenzohydrazide
CID 799230
4-amino-N'-(4-chlorobenzoyl)benzohydrazide
CID 785216
4-chloro-N'-prop-2-enoylbenzohydrazide
CID 101094215
N-[(E)-(4-chlorophenyl)methylideneamino]pyridine-4-carboxamide;hydrate
CID 21204570
N'-(4-methylbenzoyl)pyridine-4-carbohydrazide
CID 788109
2-N',6-N'-bis(4-chlorobenzoyl)pyridine-2,6-dicarbohydrazide
CID 43063875
4-chloro-N-hydroxybenzamide
CID 587178
4-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide
CID 11451854
1-[(4-tert-butylbenzoyl)amino]-3-(4-chlorophenyl)urea
CID 840661

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-(tripyridin-4-ylmethyl)benzohydrazide?
The IUPAC name of 4-chloro-N'-(tripyridin-4-ylmethyl)benzohydrazide (CID 20696146) is 4-chloro-N'-(tripyridin-4-ylmethyl)benzohydrazide.
What is the SMILES notation for 4-chloro-N'-(tripyridin-4-ylmethyl)benzohydrazide?
The canonical SMILES for 4-chloro-N'-(tripyridin-4-ylmethyl)benzohydrazide is O=C(NNC(c1ccncc1)(c1ccncc1)c1ccncc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-(tripyridin-4-ylmethyl)benzohydrazide?
The InChIKey is WXDQPRJTHAVBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O/c24-21-3-1-17(2-4-21)22(30)28-29-23(18-5-11-25-12-6-18,19-7-13-26-14-8-19)20-9-15-27-16-10-20/h1-16,29H,(H,28,30).
What are the key properties of 4-chloro-N'-(tripyridin-4-ylmethyl)benzohydrazide?
4-chloro-N'-(tripyridin-4-ylmethyl)benzohydrazide has a molecular weight of 415.88 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-(tripyridin-4-ylmethyl)benzohydrazide is sourced from PubChem (CID 20696146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).