2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide

C15H18N4O2 — CID 62235691

IUPAC2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
SMILESCc1cccc(OCCNC(=O)c2cccnc2NN)c1
InChIInChI=1S/C15H18N4O2/c1-11-4-2-5-12(10-11)21-9-8-18-15(20)13-6-3-7-17-14(13)19-16/h2-7,10H,8-9,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyPJQODPORYJVRKK-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.48
Rot. Bonds6

About 2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide

2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide (PubChem CID 62235691) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
PubChem CID62235691
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
SMILESCc1cccc(OCCNC(=O)c2cccnc2NN)c1
InChIInChI=1S/C15H18N4O2/c1-11-4-2-5-12(10-11)21-9-8-18-15(20)13-6-3-7-17-14(13)19-16/h2-7,10H,8-9,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyPJQODPORYJVRKK-UHFFFAOYSA-N
XLogP1.48
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide (CID 62235691) is 2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide is Cc1cccc(OCCNC(=O)c2cccnc2NN)c1.
What is the InChIKey of 2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide?
The InChIKey is PJQODPORYJVRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11-4-2-5-12(10-11)21-9-8-18-15(20)13-6-3-7-17-14(13)19-16/h2-7,10H,8-9,16H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide?
2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 62235691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).