N-[(E)-[(E)-but-2-enylidene]amino]pyridine-4-carboxamide

C10H11N3O — CID 5369886

IUPACN-[(E)-[(E)-but-2-enylidene]amino]pyridine-4-carboxamide
SMILESC/C=C/C=N/NC(=O)c1ccncc1
InChIInChI=1S/C10H11N3O/c1-2-3-6-12-13-10(14)9-4-7-11-8-5-9/h2-8H,1H3,(H,13,14)/b3-2+,12-6+
InChIKeyYLWYNCPRXFCNLQ-WYIUXTECSA-N
MW189.22 g/mol
LogP1.37
Rot. Bonds3

About N-[(E)-[(E)-but-2-enylidene]amino]pyridine-4-carboxamide

N-[(E)-[(E)-but-2-enylidene]amino]pyridine-4-carboxamide (PubChem CID 5369886) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is N-[(E)-[(E)-but-2-enylidene]amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(E)-but-2-enylidene]amino]pyridine-4-carboxamide
PubChem CID5369886
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC NameN-[(E)-[(E)-but-2-enylidene]amino]pyridine-4-carboxamide
SMILESC/C=C/C=N/NC(=O)c1ccncc1
InChIInChI=1S/C10H11N3O/c1-2-3-6-12-13-10(14)9-4-7-11-8-5-9/h2-8H,1H3,(H,13,14)/b3-2+,12-6+
InChIKeyYLWYNCPRXFCNLQ-WYIUXTECSA-N
XLogP1.37
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-[(E)-but-2-enylidene]amino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-[(E)-but-2-enylidene]amino]pyridine-4-carboxamide (CID 5369886) is N-[(E)-[(E)-but-2-enylidene]amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-[(E)-but-2-enylidene]amino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-[(E)-but-2-enylidene]amino]pyridine-4-carboxamide is C/C=C/C=N/NC(=O)c1ccncc1.
What is the InChIKey of N-[(E)-[(E)-but-2-enylidene]amino]pyridine-4-carboxamide?
The InChIKey is YLWYNCPRXFCNLQ-WYIUXTECSA-N. The full InChI is InChI=1S/C10H11N3O/c1-2-3-6-12-13-10(14)9-4-7-11-8-5-9/h2-8H,1H3,(H,13,14)/b3-2+,12-6+.
What are the key properties of N-[(E)-[(E)-but-2-enylidene]amino]pyridine-4-carboxamide?
N-[(E)-[(E)-but-2-enylidene]amino]pyridine-4-carboxamide has a molecular weight of 189.22 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-but-2-enylidene]amino]pyridine-4-carboxamide is sourced from PubChem (CID 5369886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).