6-[[(3-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide

C15H17ClN4O — CID 106909145

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

About 6-[[(3-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide

6-[[(3-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide (PubChem CID 106909145) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 6-[[(3-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name6-[[(3-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide
PubChem CID106909145
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name6-[[(3-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide
SMILESCN(Cc1cccc(Cl)c1)Cc1cccc(C(=O)NN)n1
InChIInChI=1S/C15H17ClN4O/c1-20(9-11-4-2-5-12(16)8-11)10-13-6-3-7-14(18-13)15(21)19-17/h2-8H,9-10,17H2,1H3,(H,19,21)
InChIKeyXBFBYGGLRSTIOL-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-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carbohydrazide
CID 106909075
6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide
CID 106909258
1-[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-pyridinyl]-N-methylmethanamine
CID 106906091
6-[[butyl(methyl)amino]methyl]pyridine-2-carbohydrazide
CID 106909022
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-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbohydrazide
CID 106909203
hydrazinyl 3-[(3-chlorophenyl)methyl-methylamino]propanoate
CID 66337674
1-[(3-chlorophenyl)methyl-methylamino]propan-2-one
CID 60650818
2-[[6-(hydrazinecarbonyl)-2-pyridinyl]methyl-propan-2-ylamino]acetamide
CID 106909180
1-(3-chlorophenyl)-N-[[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine
CID 127045282
N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258

Frequently Asked Questions

What is the IUPAC name of 6-[[(3-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide?
The IUPAC name of 6-[[(3-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide (CID 106909145) is 6-[[(3-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide.
What is the SMILES notation for 6-[[(3-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide?
The canonical SMILES for 6-[[(3-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide is CN(Cc1cccc(Cl)c1)Cc1cccc(C(=O)NN)n1.
What is the InChIKey of 6-[[(3-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide?
The InChIKey is XBFBYGGLRSTIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-20(9-11-4-2-5-12(16)8-11)10-13-6-3-7-14(18-13)15(21)19-17/h2-8H,9-10,17H2,1H3,(H,19,21).
What are the key properties of 6-[[(3-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide?
6-[[(3-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-[[(3-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 106909145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).