4-ethoxy-N'-pyrimidin-2-ylbenzohydrazide

C13H14N4O2 — CID 47140397

IUPAC4-ethoxy-N'-pyrimidin-2-ylbenzohydrazide
SMILESCCOc1ccc(C(=O)NNc2ncccn2)cc1
InChIInChI=1S/C13H14N4O2/c1-2-19-11-6-4-10(5-7-11)12(18)16-17-13-14-8-3-9-15-13/h3-9H,2H2,1H3,(H,16,18)(H,14,15,17)
InChIKeyOMCRZWDZNCARTE-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.63
Rot. Bonds5

About 4-ethoxy-N'-pyrimidin-2-ylbenzohydrazide

4-ethoxy-N'-pyrimidin-2-ylbenzohydrazide (PubChem CID 47140397) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-ethoxy-N'-pyrimidin-2-ylbenzohydrazide.

Molecular Properties

Compound Name4-ethoxy-N'-pyrimidin-2-ylbenzohydrazide
PubChem CID47140397
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name4-ethoxy-N'-pyrimidin-2-ylbenzohydrazide
SMILESCCOc1ccc(C(=O)NNc2ncccn2)cc1
InChIInChI=1S/C13H14N4O2/c1-2-19-11-6-4-10(5-7-11)12(18)16-17-13-14-8-3-9-15-13/h3-9H,2H2,1H3,(H,16,18)(H,14,15,17)
InChIKeyOMCRZWDZNCARTE-UHFFFAOYSA-N
XLogP1.63
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N'-phenylbenzohydrazide
CID 12065813
N'-(4-ethoxybenzoyl)pyridine-4-carbohydrazide
CID 959949
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
N'-(4-ethoxybenzoyl)-3-(trifluoromethyl)pyridine-2-carbohydrazide
CID 75398752
N'-(4-ethoxybenzoyl)-6-methylpyridine-3-carbohydrazide
CID 18147998
4-ethoxy-N-[6-[(4-ethoxybenzoyl)amino]-2-pyridinyl]benzamide
CID 4204904
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108540562
4-ethoxy-N-pyridin-4-ylbenzamide
CID 803153
N-[4-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]butanamide
CID 4948723
N'-(4-ethoxybenzoyl)-4-(methylsulfanylmethyl)benzohydrazide
CID 7979451
N'-(4-ethoxybenzoyl)-4-(5-methylpyrazol-1-yl)benzohydrazide
CID 9327686
6-(dimethylamino)-N'-(4-ethoxybenzoyl)pyridine-3-carbohydrazide
CID 35701839

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N'-pyrimidin-2-ylbenzohydrazide?
The IUPAC name of 4-ethoxy-N'-pyrimidin-2-ylbenzohydrazide (CID 47140397) is 4-ethoxy-N'-pyrimidin-2-ylbenzohydrazide.
What is the SMILES notation for 4-ethoxy-N'-pyrimidin-2-ylbenzohydrazide?
The canonical SMILES for 4-ethoxy-N'-pyrimidin-2-ylbenzohydrazide is CCOc1ccc(C(=O)NNc2ncccn2)cc1.
What is the InChIKey of 4-ethoxy-N'-pyrimidin-2-ylbenzohydrazide?
The InChIKey is OMCRZWDZNCARTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-2-19-11-6-4-10(5-7-11)12(18)16-17-13-14-8-3-9-15-13/h3-9H,2H2,1H3,(H,16,18)(H,14,15,17).
What are the key properties of 4-ethoxy-N'-pyrimidin-2-ylbenzohydrazide?
4-ethoxy-N'-pyrimidin-2-ylbenzohydrazide has a molecular weight of 258.28 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N'-pyrimidin-2-ylbenzohydrazide is sourced from PubChem (CID 47140397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).