N-[2-[(2E)-2-[1-(3-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide

C16H16N4O3 — CID 46496050

IUPACN-[2-[(2E)-2-[1-(3-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide
SMILESC/C(=N\NC(=O)CNC(=O)c1cccnc1)c1cccc(O)c1
InChIInChI=1S/C16H16N4O3/c1-11(12-4-2-6-14(21)8-12)19-20-15(22)10-18-16(23)13-5-3-7-17-9-13/h2-9,21H,10H2,1H3,(H,18,23)(H,20,22)/b19-11+
InChIKeyPVGRNNVQJSYDEN-YBFXNURJSA-N
MW312.33 g/mol
LogP1.06
Rot. Bonds5

About N-[2-[(2E)-2-[1-(3-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide

N-[2-[(2E)-2-[1-(3-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide (PubChem CID 46496050) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[2-[(2E)-2-[1-(3-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[1-(3-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide
PubChem CID46496050
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC NameN-[2-[(2E)-2-[1-(3-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide
SMILESC/C(=N\NC(=O)CNC(=O)c1cccnc1)c1cccc(O)c1
InChIInChI=1S/C16H16N4O3/c1-11(12-4-2-6-14(21)8-12)19-20-15(22)10-18-16(23)13-5-3-7-17-9-13/h2-9,21H,10H2,1H3,(H,18,23)(H,20,22)/b19-11+
InChIKeyPVGRNNVQJSYDEN-YBFXNURJSA-N
XLogP1.06
TPSA103.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 N-[2-[(2E)-2-[1-(3-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[(2E)-2-[1-(3-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide (CID 46496050) is N-[2-[(2E)-2-[1-(3-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(2E)-2-[1-(3-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(2E)-2-[1-(3-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide is C/C(=N\NC(=O)CNC(=O)c1cccnc1)c1cccc(O)c1.
What is the InChIKey of N-[2-[(2E)-2-[1-(3-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide?
The InChIKey is PVGRNNVQJSYDEN-YBFXNURJSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-11(12-4-2-6-14(21)8-12)19-20-15(22)10-18-16(23)13-5-3-7-17-9-13/h2-9,21H,10H2,1H3,(H,18,23)(H,20,22)/b19-11+.
What are the key properties of N-[2-[(2E)-2-[1-(3-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide?
N-[2-[(2E)-2-[1-(3-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[1-(3-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide is sourced from PubChem (CID 46496050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).