4-[methyl(pyridin-2-ylmethyl)amino]pentanehydrazide

C12H20N4O — CID 63572365

IUPAC4-[methyl(pyridin-2-ylmethyl)amino]pentanehydrazide
SMILESCC(CCC(=O)NN)N(C)Cc1ccccn1
InChIInChI=1S/C12H20N4O/c1-10(6-7-12(17)15-13)16(2)9-11-5-3-4-8-14-11/h3-5,8,10H,6-7,9,13H2,1-2H3,(H,15,17)
InChIKeyPTOKSQDVQXQBCN-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.67
Rot. Bonds6

About 4-[methyl(pyridin-2-ylmethyl)amino]pentanehydrazide

4-[methyl(pyridin-2-ylmethyl)amino]pentanehydrazide (PubChem CID 63572365) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-[methyl(pyridin-2-ylmethyl)amino]pentanehydrazide.

Molecular Properties

Compound Name4-[methyl(pyridin-2-ylmethyl)amino]pentanehydrazide
PubChem CID63572365
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-[methyl(pyridin-2-ylmethyl)amino]pentanehydrazide
SMILESCC(CCC(=O)NN)N(C)Cc1ccccn1
InChIInChI=1S/C12H20N4O/c1-10(6-7-12(17)15-13)16(2)9-11-5-3-4-8-14-11/h3-5,8,10H,6-7,9,13H2,1-2H3,(H,15,17)
InChIKeyPTOKSQDVQXQBCN-UHFFFAOYSA-N
XLogP0.67
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.67
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

3-N-methyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine
CID 60914164
3-[methyl(pyridin-2-ylmethyl)amino]butanethioamide
CID 60914342
4-[methyl(2-pyridin-2-ylethyl)amino]butanehydrazide
CID 63572869
4-[(4-bromophenyl)methyl-methylamino]pentanehydrazide
CID 63579697
4-amino-3-[methyl(pyridin-2-ylmethyl)amino]-N-propan-2-ylbutanamide
CID 66430158
1-N-cyclopropyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-1,4-diamine
CID 62432306
2-N-ethyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-2,4-diamine
CID 64706979
5-[bis(pyridin-2-ylmethyl)amino]hexanoic acid
CID 141092997
4-amino-3-[methyl(pyridin-2-ylmethyl)amino]butanamide
CID 66427540
1-N-butyl-2-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 55089385
methyl 2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]propanoate
CID 43565155
3-methyl-1-[methyl(pyridin-2-ylmethyl)amino]butan-2-one
CID 79396474

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(pyridin-2-ylmethyl)amino]pentanehydrazide?
The IUPAC name of 4-[methyl(pyridin-2-ylmethyl)amino]pentanehydrazide (CID 63572365) is 4-[methyl(pyridin-2-ylmethyl)amino]pentanehydrazide.
What is the SMILES notation for 4-[methyl(pyridin-2-ylmethyl)amino]pentanehydrazide?
The canonical SMILES for 4-[methyl(pyridin-2-ylmethyl)amino]pentanehydrazide is CC(CCC(=O)NN)N(C)Cc1ccccn1.
What is the InChIKey of 4-[methyl(pyridin-2-ylmethyl)amino]pentanehydrazide?
The InChIKey is PTOKSQDVQXQBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-10(6-7-12(17)15-13)16(2)9-11-5-3-4-8-14-11/h3-5,8,10H,6-7,9,13H2,1-2H3,(H,15,17).
What are the key properties of 4-[methyl(pyridin-2-ylmethyl)amino]pentanehydrazide?
4-[methyl(pyridin-2-ylmethyl)amino]pentanehydrazide has a molecular weight of 236.32 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(pyridin-2-ylmethyl)amino]pentanehydrazide is sourced from PubChem (CID 63572365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).