6-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbohydrazide

C16H20N4O — CID 106909203

IUPAC6-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbohydrazide
SMILESCc1cc(C)cc(N(C)Cc2cccc(C(=O)NN)n2)c1
InChIInChI=1S/C16H20N4O/c1-11-7-12(2)9-14(8-11)20(3)10-13-5-4-6-15(18-13)16(21)19-17/h4-9H,10,17H2,1-3H3,(H,19,21)
InChIKeySVKKWEYMBGQOBM-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.94
Rot. Bonds4

About 6-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbohydrazide

6-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbohydrazide (PubChem CID 106909203) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name6-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbohydrazide
PubChem CID106909203
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name6-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbohydrazide
SMILESCc1cc(C)cc(N(C)Cc2cccc(C(=O)NN)n2)c1
InChIInChI=1S/C16H20N4O/c1-11-7-12(2)9-14(8-11)20(3)10-13-5-4-6-15(18-13)16(21)19-17/h4-9H,10,17H2,1-3H3,(H,19,21)
InChIKeySVKKWEYMBGQOBM-UHFFFAOYSA-N
XLogP1.94
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.94
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

6-[[butyl(methyl)amino]methyl]pyridine-2-carbohydrazide
CID 106909022
3-[[6-(hydrazinecarbonyl)-2-pyridinyl]methyl-methylamino]-N-methylpropanamide
CID 106918242
6-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carbohydrazide
CID 106909075
6-[[(3-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide
CID 106909145
6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide
CID 106909258
6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyridine-2-carbohydrazide
CID 106909041
2-(N,3,5-trimethylanilino)acetohydrazide
CID 63583846
6-[[bis(cyanomethyl)amino]methyl]pyridine-2-carbohydrazide
CID 106909021
2-[[6-(hydrazinecarbonyl)-2-pyridinyl]methyl-propan-2-ylamino]acetamide
CID 106909180
6-[[bis(cyclopropylmethyl)amino]methyl]pyridine-2-carbohydrazide
CID 106909293
6-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carbohydrazide
CID 106908889
6-[[cyclopropyl(2-methoxyethyl)amino]methyl]pyridine-2-carbohydrazide
CID 106909183

Frequently Asked Questions

What is the IUPAC name of 6-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbohydrazide?
The IUPAC name of 6-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbohydrazide (CID 106909203) is 6-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbohydrazide.
What is the SMILES notation for 6-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbohydrazide?
The canonical SMILES for 6-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbohydrazide is Cc1cc(C)cc(N(C)Cc2cccc(C(=O)NN)n2)c1.
What is the InChIKey of 6-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbohydrazide?
The InChIKey is SVKKWEYMBGQOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-7-12(2)9-14(8-11)20(3)10-13-5-4-6-15(18-13)16(21)19-17/h4-9H,10,17H2,1-3H3,(H,19,21).
What are the key properties of 6-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbohydrazide?
6-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbohydrazide has a molecular weight of 284.36 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 106909203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).