2-(4-chlorophenyl)imino-N'-(pyridin-4-ylmethyl)acetohydrazide

C14H13ClN4O — CID 91174141

IUPAC2-(4-chlorophenyl)imino-N'-(pyridin-4-ylmethyl)acetohydrazide
SMILESO=C(/C=N/c1ccc(Cl)cc1)NNCc1ccncc1
InChIInChI=1S/C14H13ClN4O/c15-12-1-3-13(4-2-12)17-10-14(20)19-18-9-11-5-7-16-8-6-11/h1-8,10,18H,9H2,(H,19,20)/b17-10+
InChIKeyCHBSDJLHCJDVSC-LICLKQGHSA-N
MW288.74 g/mol
LogP2.26
Rot. Bonds5

About 2-(4-chlorophenyl)imino-N'-(pyridin-4-ylmethyl)acetohydrazide

2-(4-chlorophenyl)imino-N'-(pyridin-4-ylmethyl)acetohydrazide (PubChem CID 91174141) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)imino-N'-(pyridin-4-ylmethyl)acetohydrazide.

Molecular Properties

Compound Name2-(4-chlorophenyl)imino-N'-(pyridin-4-ylmethyl)acetohydrazide
PubChem CID91174141
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name2-(4-chlorophenyl)imino-N'-(pyridin-4-ylmethyl)acetohydrazide
SMILESO=C(/C=N/c1ccc(Cl)cc1)NNCc1ccncc1
InChIInChI=1S/C14H13ClN4O/c15-12-1-3-13(4-2-12)17-10-14(20)19-18-9-11-5-7-16-8-6-11/h1-8,10,18H,9H2,(H,19,20)/b17-10+
InChIKeyCHBSDJLHCJDVSC-LICLKQGHSA-N
XLogP2.26
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-phenylimino-N'-(pyridin-4-ylmethyl)acetohydrazide
CID 91233246
N'-(pyridin-4-ylmethyl)-2-[3-[4-(trifluoromethoxy)phenoxy]phenyl]iminoacetohydrazide
CID 91021275
3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 895858
N-(4-chlorophenyl)-1-pyridin-4-ylmethanimine
CID 554614
N'-(pyridin-4-ylmethyl)octadecanehydrazide
CID 154115968
2-oxo-N-(pyridin-4-ylmethyl)acetamide
CID 88952293
(Z)-3-[(4-chlorophenyl)iminomethyl]-4-hydroxypent-3-en-2-one
CID 135482711
1-[(4-chlorophenoxy)methyl]-3-(pyridin-4-ylmethyl)urea
CID 108885189
N'-(4-chlorobenzoyl)pyridine-4-carbohydrazide
CID 960057
3-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-4-ylmethyl)propanamide
CID 109023792
4-(4-chlorobenzoyl)-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide
CID 155538726
1,2-bis[(4-chlorophenyl)methyl]hydrazine;dihydrochloride
CID 20519808

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)imino-N'-(pyridin-4-ylmethyl)acetohydrazide?
The IUPAC name of 2-(4-chlorophenyl)imino-N'-(pyridin-4-ylmethyl)acetohydrazide (CID 91174141) is 2-(4-chlorophenyl)imino-N'-(pyridin-4-ylmethyl)acetohydrazide.
What is the SMILES notation for 2-(4-chlorophenyl)imino-N'-(pyridin-4-ylmethyl)acetohydrazide?
The canonical SMILES for 2-(4-chlorophenyl)imino-N'-(pyridin-4-ylmethyl)acetohydrazide is O=C(/C=N/c1ccc(Cl)cc1)NNCc1ccncc1.
What is the InChIKey of 2-(4-chlorophenyl)imino-N'-(pyridin-4-ylmethyl)acetohydrazide?
The InChIKey is CHBSDJLHCJDVSC-LICLKQGHSA-N. The full InChI is InChI=1S/C14H13ClN4O/c15-12-1-3-13(4-2-12)17-10-14(20)19-18-9-11-5-7-16-8-6-11/h1-8,10,18H,9H2,(H,19,20)/b17-10+.
What are the key properties of 2-(4-chlorophenyl)imino-N'-(pyridin-4-ylmethyl)acetohydrazide?
2-(4-chlorophenyl)imino-N'-(pyridin-4-ylmethyl)acetohydrazide has a molecular weight of 288.74 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)imino-N'-(pyridin-4-ylmethyl)acetohydrazide is sourced from PubChem (CID 91174141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).