3-[methyl(pyridin-4-ylmethyl)amino]butanehydrazide

C11H18N4O — CID 63571998

IUPAC3-[methyl(pyridin-4-ylmethyl)amino]butanehydrazide
SMILESCC(CC(=O)NN)N(C)Cc1ccncc1
InChIInChI=1S/C11H18N4O/c1-9(7-11(16)14-12)15(2)8-10-3-5-13-6-4-10/h3-6,9H,7-8,12H2,1-2H3,(H,14,16)
InChIKeyOOENTMPYYXGEGT-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.28
Rot. Bonds5

About 3-[methyl(pyridin-4-ylmethyl)amino]butanehydrazide

3-[methyl(pyridin-4-ylmethyl)amino]butanehydrazide (PubChem CID 63571998) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[methyl(pyridin-4-ylmethyl)amino]butanehydrazide.

Molecular Properties

Compound Name3-[methyl(pyridin-4-ylmethyl)amino]butanehydrazide
PubChem CID63571998
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-[methyl(pyridin-4-ylmethyl)amino]butanehydrazide
SMILESCC(CC(=O)NN)N(C)Cc1ccncc1
InChIInChI=1S/C11H18N4O/c1-9(7-11(16)14-12)15(2)8-10-3-5-13-6-4-10/h3-6,9H,7-8,12H2,1-2H3,(H,14,16)
InChIKeyOOENTMPYYXGEGT-UHFFFAOYSA-N
XLogP0.28
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(3R)-N-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanamide
CID 95131612
3-[benzyl(methyl)amino]butanehydrazide
CID 63568867
3-[(4-fluorophenyl)methyl-methylamino]butanehydrazide
CID 55214641
3-[methyl(pyridin-4-ylmethyl)amino]propanehydrazide
CID 63573503
methyl 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanoate
CID 79406364
2-[ethyl(pyridin-4-ylmethyl)amino]acetohydrazide
CID 63584522
3-[methyl-[(2-methylphenyl)methyl]amino]butanehydrazide
CID 55214054
3-[(3-cyanophenyl)methyl-methylamino]butanehydrazide
CID 63583351
2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propanehydrazide
CID 63571999
3-[ethyl(pyridin-4-ylmethyl)amino]propanehydrazide
CID 63584520
4-[(4-chlorophenyl)methyl-methylamino]pentanehydrazide
CID 63578763
4-[(4-bromophenyl)methyl-methylamino]pentanehydrazide
CID 63579697

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(pyridin-4-ylmethyl)amino]butanehydrazide?
The IUPAC name of 3-[methyl(pyridin-4-ylmethyl)amino]butanehydrazide (CID 63571998) is 3-[methyl(pyridin-4-ylmethyl)amino]butanehydrazide.
What is the SMILES notation for 3-[methyl(pyridin-4-ylmethyl)amino]butanehydrazide?
The canonical SMILES for 3-[methyl(pyridin-4-ylmethyl)amino]butanehydrazide is CC(CC(=O)NN)N(C)Cc1ccncc1.
What is the InChIKey of 3-[methyl(pyridin-4-ylmethyl)amino]butanehydrazide?
The InChIKey is OOENTMPYYXGEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-9(7-11(16)14-12)15(2)8-10-3-5-13-6-4-10/h3-6,9H,7-8,12H2,1-2H3,(H,14,16).
What are the key properties of 3-[methyl(pyridin-4-ylmethyl)amino]butanehydrazide?
3-[methyl(pyridin-4-ylmethyl)amino]butanehydrazide has a molecular weight of 222.29 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(pyridin-4-ylmethyl)amino]butanehydrazide is sourced from PubChem (CID 63571998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).