2-[4-[(3-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetohydrazide

C15H17N3O2 — CID 105352210

IUPAC2-[4-[(3-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetohydrazide
SMILESCc1cccn(Cc2ccc(CC(=O)NN)cc2)c1=O
InChIInChI=1S/C15H17N3O2/c1-11-3-2-8-18(15(11)20)10-13-6-4-12(5-7-13)9-14(19)17-16/h2-8H,9-10,16H2,1H3,(H,17,19)
InChIKeyMCAKXNNYTVZVRQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.74
Rot. Bonds4

About 2-[4-[(3-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetohydrazide

2-[4-[(3-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetohydrazide (PubChem CID 105352210) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[4-[(3-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[(3-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetohydrazide
PubChem CID105352210
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-[4-[(3-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetohydrazide
SMILESCc1cccn(Cc2ccc(CC(=O)NN)cc2)c1=O
InChIInChI=1S/C15H17N3O2/c1-11-3-2-8-18(15(11)20)10-13-6-4-12(5-7-13)9-14(19)17-16/h2-8H,9-10,16H2,1H3,(H,17,19)
InChIKeyMCAKXNNYTVZVRQ-UHFFFAOYSA-N
XLogP0.74
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.74
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[(3-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetohydrazide (CID 105352210) is 2-[4-[(3-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[(3-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[(3-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetohydrazide is Cc1cccn(Cc2ccc(CC(=O)NN)cc2)c1=O.
What is the InChIKey of 2-[4-[(3-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetohydrazide?
The InChIKey is MCAKXNNYTVZVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-3-2-8-18(15(11)20)10-13-6-4-12(5-7-13)9-14(19)17-16/h2-8H,9-10,16H2,1H3,(H,17,19).
What are the key properties of 2-[4-[(3-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetohydrazide?
2-[4-[(3-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetohydrazide has a molecular weight of 271.32 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetohydrazide is sourced from PubChem (CID 105352210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).