N-[(E)-1-pyrazin-2-ylethylideneamino]pyridine-4-carboxamide

C12H11N5O — CID 14988764

IUPACN-[(E)-1-pyrazin-2-ylethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1ccncc1)c1cnccn1
InChIInChI=1S/C12H11N5O/c1-9(11-8-14-6-7-15-11)16-17-12(18)10-2-4-13-5-3-10/h2-8H,1H3,(H,17,18)/b16-9+
InChIKeyXGPWCUDPIJMMGE-CXUHLZMHSA-N
MW241.25 g/mol
LogP1.03
Rot. Bonds3

About N-[(E)-1-pyrazin-2-ylethylideneamino]pyridine-4-carboxamide

N-[(E)-1-pyrazin-2-ylethylideneamino]pyridine-4-carboxamide (PubChem CID 14988764) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is N-[(E)-1-pyrazin-2-ylethylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-pyrazin-2-ylethylideneamino]pyridine-4-carboxamide
PubChem CID14988764
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC NameN-[(E)-1-pyrazin-2-ylethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1ccncc1)c1cnccn1
InChIInChI=1S/C12H11N5O/c1-9(11-8-14-6-7-15-11)16-17-12(18)10-2-4-13-5-3-10/h2-8H,1H3,(H,17,18)/b16-9+
InChIKeyXGPWCUDPIJMMGE-CXUHLZMHSA-N
XLogP1.03
TPSA80.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.03
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-pyrazin-2-ylethylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-1-pyrazin-2-ylethylideneamino]pyridine-4-carboxamide (CID 14988764) is N-[(E)-1-pyrazin-2-ylethylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-1-pyrazin-2-ylethylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-1-pyrazin-2-ylethylideneamino]pyridine-4-carboxamide is C/C(=N\NC(=O)c1ccncc1)c1cnccn1.
What is the InChIKey of N-[(E)-1-pyrazin-2-ylethylideneamino]pyridine-4-carboxamide?
The InChIKey is XGPWCUDPIJMMGE-CXUHLZMHSA-N. The full InChI is InChI=1S/C12H11N5O/c1-9(11-8-14-6-7-15-11)16-17-12(18)10-2-4-13-5-3-10/h2-8H,1H3,(H,17,18)/b16-9+.
What are the key properties of N-[(E)-1-pyrazin-2-ylethylideneamino]pyridine-4-carboxamide?
N-[(E)-1-pyrazin-2-ylethylideneamino]pyridine-4-carboxamide has a molecular weight of 241.25 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-pyrazin-2-ylethylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 14988764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).