N-[(Z)-1-quinoxalin-2-ylethylideneamino]pyridine-4-carboxamide

C16H13N5O — CID 26974464

IUPACN-[(Z)-1-quinoxalin-2-ylethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N/NC(=O)c1ccncc1)c1cnc2ccccc2n1
InChIInChI=1S/C16H13N5O/c1-11(20-21-16(22)12-6-8-17-9-7-12)15-10-18-13-4-2-3-5-14(13)19-15/h2-10H,1H3,(H,21,22)/b20-11-
InChIKeyNEWRDSLKWALODT-JAIQZWGSSA-N
MW291.31 g/mol
LogP2.18
Rot. Bonds3

About N-[(Z)-1-quinoxalin-2-ylethylideneamino]pyridine-4-carboxamide

N-[(Z)-1-quinoxalin-2-ylethylideneamino]pyridine-4-carboxamide (PubChem CID 26974464) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is N-[(Z)-1-quinoxalin-2-ylethylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-quinoxalin-2-ylethylideneamino]pyridine-4-carboxamide
PubChem CID26974464
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC NameN-[(Z)-1-quinoxalin-2-ylethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N/NC(=O)c1ccncc1)c1cnc2ccccc2n1
InChIInChI=1S/C16H13N5O/c1-11(20-21-16(22)12-6-8-17-9-7-12)15-10-18-13-4-2-3-5-14(13)19-15/h2-10H,1H3,(H,21,22)/b20-11-
InChIKeyNEWRDSLKWALODT-JAIQZWGSSA-N
XLogP2.18
TPSA80.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
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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Related Compounds

N-(1-quinoxalin-2-ylethylideneamino)acetamide
CID 74516260
chloronickel;N-[1-[6-[C-methyl-N-(pyridine-4-carbonylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]pyridine-4-carboxamide
CID 50912725
N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide
CID 5402716
2-[(Z)-C-methyl-N-(pyridine-4-carbonylamino)carbonimidoyl]benzoate
CID 7434547
N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]pyridine-4-carboxamide
CID 7937174
N-[(E)-1-(6-methyl-2-oxo-1H-pyrimidin-5-yl)ethylideneamino]pyridine-4-carboxamide
CID 135405752
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]pyridine-4-carboxamide
CID 5394794
N-(1-pyridin-4-ylethylideneamino)-4-pyrrol-1-ylbenzamide
CID 3606783
N-[(Z)-1-(3-chlorophenyl)ethylideneamino]pyridine-4-carboxamide
CID 5480352
N-[(E)-[(2E)-1,2-diphenyl-2-(pyridine-4-carbonylhydrazinylidene)ethylidene]amino]pyridine-4-carboxamide
CID 46202828
N-[(Z)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-4-carboxamide
CID 6302652
(E)-N-[(E)-ethylideneamino]-1-quinoxalin-2-ylethanimine
CID 43835872

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-quinoxalin-2-ylethylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(Z)-1-quinoxalin-2-ylethylideneamino]pyridine-4-carboxamide (CID 26974464) is N-[(Z)-1-quinoxalin-2-ylethylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-1-quinoxalin-2-ylethylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-1-quinoxalin-2-ylethylideneamino]pyridine-4-carboxamide is C/C(=N/NC(=O)c1ccncc1)c1cnc2ccccc2n1.
What is the InChIKey of N-[(Z)-1-quinoxalin-2-ylethylideneamino]pyridine-4-carboxamide?
The InChIKey is NEWRDSLKWALODT-JAIQZWGSSA-N. The full InChI is InChI=1S/C16H13N5O/c1-11(20-21-16(22)12-6-8-17-9-7-12)15-10-18-13-4-2-3-5-14(13)19-15/h2-10H,1H3,(H,21,22)/b20-11-.
What are the key properties of N-[(Z)-1-quinoxalin-2-ylethylideneamino]pyridine-4-carboxamide?
N-[(Z)-1-quinoxalin-2-ylethylideneamino]pyridine-4-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-quinoxalin-2-ylethylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 26974464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).