N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide

C13H12N4O — CID 5402716

IUPACN-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1ccncc1)c1ccncc1
InChIInChI=1S/C13H12N4O/c1-10(11-2-6-14-7-3-11)16-17-13(18)12-4-8-15-9-5-12/h2-9H,1H3,(H,17,18)/b16-10+
InChIKeyKQBTUBFRMPKRFX-MHWRWJLKSA-N
MW240.27 g/mol
LogP1.63
Rot. Bonds3

About N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide

N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide (PubChem CID 5402716) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide
PubChem CID5402716
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC NameN-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1ccncc1)c1ccncc1
InChIInChI=1S/C13H12N4O/c1-10(11-2-6-14-7-3-11)16-17-13(18)12-4-8-15-9-5-12/h2-9H,1H3,(H,17,18)/b16-10+
InChIKeyKQBTUBFRMPKRFX-MHWRWJLKSA-N
XLogP1.63
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]pyridine-4-carboxamide
CID 5394794
3,4,5-trihydroxy-N-(1-pyridin-4-ylethylideneamino)benzamide
CID 903912
N-(1-pyridin-4-ylethylideneamino)-4-pyrrol-1-ylbenzamide
CID 3606783
N-[(E)-1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]pyridine-4-carboxamide
CID 25237502
N-[(Z)-1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]pyridine-4-carboxamide
CID 39818795
(1-pyridin-4-ylethylideneamino)urea
CID 2755736
2-methyl-N-[(E)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide
CID 45133713
N-[(Z)-1-(3-chlorophenyl)ethylideneamino]pyridine-4-carboxamide
CID 5480352
3-oxo-N-(1-pyridin-4-ylethylideneamino)butanamide
CID 54265002
chloronickel;N-[1-[6-[C-methyl-N-(pyridine-4-carbonylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]pyridine-4-carboxamide
CID 50912725
2-[(Z)-C-methyl-N-(pyridine-4-carbonylamino)carbonimidoyl]benzoate
CID 7434547
N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]pyridine-4-carboxamide
CID 6941497

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide (CID 5402716) is N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide is C/C(=N\NC(=O)c1ccncc1)c1ccncc1.
What is the InChIKey of N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide?
The InChIKey is KQBTUBFRMPKRFX-MHWRWJLKSA-N. The full InChI is InChI=1S/C13H12N4O/c1-10(11-2-6-14-7-3-11)16-17-13(18)12-4-8-15-9-5-12/h2-9H,1H3,(H,17,18)/b16-10+.
What are the key properties of N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide?
N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide has a molecular weight of 240.27 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 5402716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).