4-[[4-(pyridin-4-ylmethyl)morpholin-2-yl]methyl]benzohydrazide

C18H22N4O2 — CID 174900344

IUPAC4-[[4-(pyridin-4-ylmethyl)morpholin-2-yl]methyl]benzohydrazide
SMILESNNC(=O)c1ccc(CC2CN(Cc3ccncc3)CCO2)cc1
InChIInChI=1S/C18H22N4O2/c19-21-18(23)16-3-1-14(2-4-16)11-17-13-22(9-10-24-17)12-15-5-7-20-8-6-15/h1-8,17H,9-13,19H2,(H,21,23)
InChIKeyUKPYAQWHSVNREL-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.13
Rot. Bonds5

About 4-[[4-(pyridin-4-ylmethyl)morpholin-2-yl]methyl]benzohydrazide

4-[[4-(pyridin-4-ylmethyl)morpholin-2-yl]methyl]benzohydrazide (PubChem CID 174900344) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-[[4-(pyridin-4-ylmethyl)morpholin-2-yl]methyl]benzohydrazide.

Molecular Properties

Compound Name4-[[4-(pyridin-4-ylmethyl)morpholin-2-yl]methyl]benzohydrazide
PubChem CID174900344
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name4-[[4-(pyridin-4-ylmethyl)morpholin-2-yl]methyl]benzohydrazide
SMILESNNC(=O)c1ccc(CC2CN(Cc3ccncc3)CCO2)cc1
InChIInChI=1S/C18H22N4O2/c19-21-18(23)16-3-1-14(2-4-16)11-17-13-22(9-10-24-17)12-15-5-7-20-8-6-15/h1-8,17H,9-13,19H2,(H,21,23)
InChIKeyUKPYAQWHSVNREL-UHFFFAOYSA-N
XLogP1.13
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-methylmorpholin-2-yl)methyl]benzohydrazide
CID 174900728
N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 43019906
[4-(pyridin-4-ylmethyl)morpholin-2-yl]methanol
CID 79841050
2-(chloromethyl)-4-(pyridin-4-ylmethyl)morpholine
CID 81210247
2-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylmorpholine-4-carboxamide
CID 134584705
4-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzoic acid
CID 81205300
pyridin-4-ylmethyl 2-[2-[[(4-hydroxybenzoyl)amino]methyl]morpholin-4-yl]acetate
CID 142176899
3-[(2-benzylmorpholin-4-yl)methyl]benzoic acid
CID 122032440
2-[4-[(2-cyanomorpholin-4-yl)methyl]phenyl]acetohydrazide
CID 105352027
1-[3-[[(2R)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methyl]phenyl]ethanone
CID 29023713
N-[(4-benzylmorpholin-2-yl)methyl]-4-fluorobenzamide
CID 46522835
1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[[4-(hydrazinecarbonyl)furan-2-yl]methyl]urea;hydrochloride
CID 69059363

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(pyridin-4-ylmethyl)morpholin-2-yl]methyl]benzohydrazide?
The IUPAC name of 4-[[4-(pyridin-4-ylmethyl)morpholin-2-yl]methyl]benzohydrazide (CID 174900344) is 4-[[4-(pyridin-4-ylmethyl)morpholin-2-yl]methyl]benzohydrazide.
What is the SMILES notation for 4-[[4-(pyridin-4-ylmethyl)morpholin-2-yl]methyl]benzohydrazide?
The canonical SMILES for 4-[[4-(pyridin-4-ylmethyl)morpholin-2-yl]methyl]benzohydrazide is NNC(=O)c1ccc(CC2CN(Cc3ccncc3)CCO2)cc1.
What is the InChIKey of 4-[[4-(pyridin-4-ylmethyl)morpholin-2-yl]methyl]benzohydrazide?
The InChIKey is UKPYAQWHSVNREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c19-21-18(23)16-3-1-14(2-4-16)11-17-13-22(9-10-24-17)12-15-5-7-20-8-6-15/h1-8,17H,9-13,19H2,(H,21,23).
What are the key properties of 4-[[4-(pyridin-4-ylmethyl)morpholin-2-yl]methyl]benzohydrazide?
4-[[4-(pyridin-4-ylmethyl)morpholin-2-yl]methyl]benzohydrazide has a molecular weight of 326.40 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(pyridin-4-ylmethyl)morpholin-2-yl]methyl]benzohydrazide is sourced from PubChem (CID 174900344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).