6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide

C15H17ClN4O — CID 106909258

IUPAC6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide
SMILESCN(Cc1cccc(C(=O)NN)n1)Cc1ccccc1Cl
InChIInChI=1S/C15H17ClN4O/c1-20(9-11-5-2-3-7-13(11)16)10-12-6-4-8-14(18-12)15(21)19-17/h2-8H,9-10,17H2,1H3,(H,19,21)
InChIKeyBJVRGKGPHAHGPL-UHFFFAOYSA-N
MW304.78 g/mol
LogP1.97
Rot. Bonds5

About 6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide

6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide (PubChem CID 106909258) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide
PubChem CID106909258
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide
SMILESCN(Cc1cccc(C(=O)NN)n1)Cc1ccccc1Cl
InChIInChI=1S/C15H17ClN4O/c1-20(9-11-5-2-3-7-13(11)16)10-12-6-4-8-14(18-12)15(21)19-17/h2-8H,9-10,17H2,1H3,(H,19,21)
InChIKeyBJVRGKGPHAHGPL-UHFFFAOYSA-N
XLogP1.97
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 51.97
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-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 106904019
6-[[(3-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide
CID 106909145
6-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carbohydrazide
CID 106909075
6-[[butyl(methyl)amino]methyl]pyridine-2-carbohydrazide
CID 106909022
6-[[(2-chlorophenyl)methyl-methylamino]methyl]-N-methylpyridin-2-amine
CID 79243670
3-[[6-(hydrazinecarbonyl)-2-pyridinyl]methyl-methylamino]-N-methylpropanamide
CID 106918242
6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyridine-2-carbohydrazide
CID 106909041
6-[[(2-chlorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine
CID 79234167
1-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]triazole-4-carbohydrazide
CID 63578074
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
6-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbohydrazide
CID 106909203
2-[[6-(hydrazinecarbonyl)-2-pyridinyl]methyl-propan-2-ylamino]acetamide
CID 106909180

Frequently Asked Questions

What is the IUPAC name of 6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide?
The IUPAC name of 6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide (CID 106909258) is 6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide.
What is the SMILES notation for 6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide?
The canonical SMILES for 6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide is CN(Cc1cccc(C(=O)NN)n1)Cc1ccccc1Cl.
What is the InChIKey of 6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide?
The InChIKey is BJVRGKGPHAHGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-20(9-11-5-2-3-7-13(11)16)10-12-6-4-8-14(18-12)15(21)19-17/h2-8H,9-10,17H2,1H3,(H,19,21).
What are the key properties of 6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide?
6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide has a molecular weight of 304.78 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 106909258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).