3-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]butanehydrazide

C13H22N4O — CID 55213835

IUPAC3-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]butanehydrazide
SMILESCC(C)C(C(=O)NN)N(C)CCc1ccncc1
InChIInChI=1S/C13H22N4O/c1-10(2)12(13(18)16-14)17(3)9-6-11-4-7-15-8-5-11/h4-5,7-8,10,12H,6,9,14H2,1-3H3,(H,16,18)
InChIKeyHMWFQGGSXAYHIS-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.57
Rot. Bonds6

About 3-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]butanehydrazide

3-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]butanehydrazide (PubChem CID 55213835) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]butanehydrazide.

Molecular Properties

Compound Name3-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]butanehydrazide
PubChem CID55213835
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]butanehydrazide
SMILESCC(C)C(C(=O)NN)N(C)CCc1ccncc1
InChIInChI=1S/C13H22N4O/c1-10(2)12(13(18)16-14)17(3)9-6-11-4-7-15-8-5-11/h4-5,7-8,10,12H,6,9,14H2,1-3H3,(H,16,18)
InChIKeyHMWFQGGSXAYHIS-UHFFFAOYSA-N
XLogP0.57
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.57
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

2-[methyl(2-pyridin-4-ylethyl)amino]pentanehydrazide
CID 83047665
2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propanehydrazide
CID 63571999
4-amino-N-tert-butyl-3-[methyl(2-pyridin-4-ylethyl)amino]butanamide
CID 66430410
(3S)-4-methyl-3-[methyl-[2-(4-methylphenyl)ethyl]amino]pentan-2-one
CID 129091921
methyl (2R)-2-[methyl(2-pyridin-4-ylethyl)amino]-2-(3,4,5-trifluorophenyl)acetate
CID 97061302
2-N-methyl-2-N-(2-pyridin-4-ylethyl)pentane-2,3-diamine
CID 60913377
methyl 5-[1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]furan-2-carboxylate
CID 79086387
hydrazinyl 3-[methyl(2-pyridin-4-ylethyl)amino]propanoate
CID 66339679
3-[methyl(pyridin-4-ylmethyl)amino]butanehydrazide
CID 63571998
N',2-dimethyl-N'-(2-pyridin-4-ylethyl)butanediamide
CID 112510368
5-amino-N,4-dimethyl-N-(2-pyridin-4-ylethyl)pentanamide
CID 82010789
N-(2,5-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 75439020

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]butanehydrazide?
The IUPAC name of 3-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]butanehydrazide (CID 55213835) is 3-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]butanehydrazide.
What is the SMILES notation for 3-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]butanehydrazide?
The canonical SMILES for 3-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]butanehydrazide is CC(C)C(C(=O)NN)N(C)CCc1ccncc1.
What is the InChIKey of 3-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]butanehydrazide?
The InChIKey is HMWFQGGSXAYHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(2)12(13(18)16-14)17(3)9-6-11-4-7-15-8-5-11/h4-5,7-8,10,12H,6,9,14H2,1-3H3,(H,16,18).
What are the key properties of 3-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]butanehydrazide?
3-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]butanehydrazide has a molecular weight of 250.35 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]butanehydrazide is sourced from PubChem (CID 55213835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).