methyl (2Z)-N-[4-(dimethylamino)benzoyl]pyridine-2-carbohydrazonate

C16H18N4O2 — CID 11285903

IUPACmethyl (2Z)-N-[4-(dimethylamino)benzoyl]pyridine-2-carbohydrazonate
SMILESCO/C(=N\NC(=O)c1ccc(N(C)C)cc1)c1ccccn1
InChIInChI=1S/C16H18N4O2/c1-20(2)13-9-7-12(8-10-13)15(21)18-19-16(22-3)14-6-4-5-11-17-14/h4-11H,1-3H3,(H,18,21)/b19-16-
InChIKeyRFPATFOAGBXLJC-MNDPQUGUSA-N
MW298.35 g/mol
LogP1.89
Rot. Bonds4

About methyl (2Z)-N-[4-(dimethylamino)benzoyl]pyridine-2-carbohydrazonate

methyl (2Z)-N-[4-(dimethylamino)benzoyl]pyridine-2-carbohydrazonate (PubChem CID 11285903) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is methyl (2Z)-N-[4-(dimethylamino)benzoyl]pyridine-2-carbohydrazonate.

Molecular Properties

Compound Namemethyl (2Z)-N-[4-(dimethylamino)benzoyl]pyridine-2-carbohydrazonate
PubChem CID11285903
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Namemethyl (2Z)-N-[4-(dimethylamino)benzoyl]pyridine-2-carbohydrazonate
SMILESCO/C(=N\NC(=O)c1ccc(N(C)C)cc1)c1ccccn1
InChIInChI=1S/C16H18N4O2/c1-20(2)13-9-7-12(8-10-13)15(21)18-19-16(22-3)14-6-4-5-11-17-14/h4-11H,1-3H3,(H,18,21)/b19-16-
InChIKeyRFPATFOAGBXLJC-MNDPQUGUSA-N
XLogP1.89
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylamino)-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 6524785
N-(dipyridin-2-ylmethylideneamino)-3,4-dimethoxybenzamide
CID 162738459
4-amino-N-(dipyridin-2-ylmethylideneamino)benzamide
CID 5232709
4-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 4586185
N-[(Z)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-4-hydroxybenzamide
CID 5438344
4-(dimethylamino)-N-[(2-methyl-1-phenylpropylidene)amino]benzamide
CID 3512909
4-propan-2-yloxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 9215537
4-(dimethylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 25337085
N-[(E)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]pyridine-2-carboxamide
CID 139165605
3,5-dimethoxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 9461008
4-(dimethylamino)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 135685330
ethyl (2Z)-2-[[4-(dimethylamino)phenyl]hydrazinylidene]-2-pyridin-2-ylacetate
CID 102346634

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-N-[4-(dimethylamino)benzoyl]pyridine-2-carbohydrazonate?
The IUPAC name of methyl (2Z)-N-[4-(dimethylamino)benzoyl]pyridine-2-carbohydrazonate (CID 11285903) is methyl (2Z)-N-[4-(dimethylamino)benzoyl]pyridine-2-carbohydrazonate.
What is the SMILES notation for methyl (2Z)-N-[4-(dimethylamino)benzoyl]pyridine-2-carbohydrazonate?
The canonical SMILES for methyl (2Z)-N-[4-(dimethylamino)benzoyl]pyridine-2-carbohydrazonate is CO/C(=N\NC(=O)c1ccc(N(C)C)cc1)c1ccccn1.
What is the InChIKey of methyl (2Z)-N-[4-(dimethylamino)benzoyl]pyridine-2-carbohydrazonate?
The InChIKey is RFPATFOAGBXLJC-MNDPQUGUSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-20(2)13-9-7-12(8-10-13)15(21)18-19-16(22-3)14-6-4-5-11-17-14/h4-11H,1-3H3,(H,18,21)/b19-16-.
What are the key properties of methyl (2Z)-N-[4-(dimethylamino)benzoyl]pyridine-2-carbohydrazonate?
methyl (2Z)-N-[4-(dimethylamino)benzoyl]pyridine-2-carbohydrazonate has a molecular weight of 298.35 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-N-[4-(dimethylamino)benzoyl]pyridine-2-carbohydrazonate is sourced from PubChem (CID 11285903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).