N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide

C17H19N5O2 — CID 5339573

IUPACN-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide
SMILESCN(C)c1ccc(/C=N/NC(=O)CNC(=O)c2ccncc2)cc1
InChIInChI=1S/C17H19N5O2/c1-22(2)15-5-3-13(4-6-15)11-20-21-16(23)12-19-17(24)14-7-9-18-10-8-14/h3-11H,12H2,1-2H3,(H,19,24)(H,21,23)/b20-11+
InChIKeyOSQZACRYQHMTRU-RGVLZGJSSA-N
MW325.37 g/mol
LogP1.03
Rot. Bonds6

About N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide

N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide (PubChem CID 5339573) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide
PubChem CID5339573
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide
SMILESCN(C)c1ccc(/C=N/NC(=O)CNC(=O)c2ccncc2)cc1
InChIInChI=1S/C17H19N5O2/c1-22(2)15-5-3-13(4-6-15)11-20-21-16(23)12-19-17(24)14-7-9-18-10-8-14/h3-11H,12H2,1-2H3,(H,19,24)(H,21,23)/b20-11+
InChIKeyOSQZACRYQHMTRU-RGVLZGJSSA-N
XLogP1.03
TPSA86.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.03
H-Bond Donors ≤ 52
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-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide (CID 5339573) is N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide is CN(C)c1ccc(/C=N/NC(=O)CNC(=O)c2ccncc2)cc1.
What is the InChIKey of N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide?
The InChIKey is OSQZACRYQHMTRU-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-22(2)15-5-3-13(4-6-15)11-20-21-16(23)12-19-17(24)14-7-9-18-10-8-14/h3-11H,12H2,1-2H3,(H,19,24)(H,21,23)/b20-11+.
What are the key properties of N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide?
N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide is sourced from PubChem (CID 5339573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).