3-[(3-methyl-2-oxo-1-pyridinyl)methyl]benzohydrazide

C14H15N3O2 — CID 63579248

IUPAC3-[(3-methyl-2-oxo-1-pyridinyl)methyl]benzohydrazide
SMILESCc1cccn(Cc2cccc(C(=O)NN)c2)c1=O
InChIInChI=1S/C14H15N3O2/c1-10-4-3-7-17(14(10)19)9-11-5-2-6-12(8-11)13(18)16-15/h2-8H,9,15H2,1H3,(H,16,18)
InChIKeyFSMKKADWCHTRSY-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.81
Rot. Bonds3

About 3-[(3-methyl-2-oxo-1-pyridinyl)methyl]benzohydrazide

3-[(3-methyl-2-oxo-1-pyridinyl)methyl]benzohydrazide (PubChem CID 63579248) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-[(3-methyl-2-oxo-1-pyridinyl)methyl]benzohydrazide.

Molecular Properties

Compound Name3-[(3-methyl-2-oxo-1-pyridinyl)methyl]benzohydrazide
PubChem CID63579248
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-[(3-methyl-2-oxo-1-pyridinyl)methyl]benzohydrazide
SMILESCc1cccn(Cc2cccc(C(=O)NN)c2)c1=O
InChIInChI=1S/C14H15N3O2/c1-10-4-3-7-17(14(10)19)9-11-5-2-6-12(8-11)13(18)16-15/h2-8H,9,15H2,1H3,(H,16,18)
InChIKeyFSMKKADWCHTRSY-UHFFFAOYSA-N
XLogP0.81
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.81
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

1-[[3-(aminomethyl)phenyl]methyl]-3-methylpyridin-2-one
CID 63172505
5-[(3-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide
CID 63579417
2-[4-[(3-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetohydrazide
CID 105352210
3-[(2,5-dimethylpyrrol-1-yl)methyl]benzohydrazide
CID 100793902
3-(pyrrol-1-ylmethyl)benzohydrazide
CID 100793873
3-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]benzohydrazide
CID 63810746
3-[(5-bromo-2,4-dioxopyrimidin-1-yl)methyl]benzohydrazide
CID 63777633
3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]benzohydrazide
CID 63579069
2-[(3-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide
CID 55249877
3-[(4-methylindol-1-yl)methyl]benzamide
CID 116620217
3-[(4-oxopiperidin-1-yl)methyl]benzohydrazide
CID 63573220
3-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzohydrazide
CID 63577338

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-2-oxo-1-pyridinyl)methyl]benzohydrazide?
The IUPAC name of 3-[(3-methyl-2-oxo-1-pyridinyl)methyl]benzohydrazide (CID 63579248) is 3-[(3-methyl-2-oxo-1-pyridinyl)methyl]benzohydrazide.
What is the SMILES notation for 3-[(3-methyl-2-oxo-1-pyridinyl)methyl]benzohydrazide?
The canonical SMILES for 3-[(3-methyl-2-oxo-1-pyridinyl)methyl]benzohydrazide is Cc1cccn(Cc2cccc(C(=O)NN)c2)c1=O.
What is the InChIKey of 3-[(3-methyl-2-oxo-1-pyridinyl)methyl]benzohydrazide?
The InChIKey is FSMKKADWCHTRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10-4-3-7-17(14(10)19)9-11-5-2-6-12(8-11)13(18)16-15/h2-8H,9,15H2,1H3,(H,16,18).
What are the key properties of 3-[(3-methyl-2-oxo-1-pyridinyl)methyl]benzohydrazide?
3-[(3-methyl-2-oxo-1-pyridinyl)methyl]benzohydrazide has a molecular weight of 257.29 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-2-oxo-1-pyridinyl)methyl]benzohydrazide is sourced from PubChem (CID 63579248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).