N-[(E)-1-(4-chlorophenyl)ethylideneamino]pyridine-4-carboxamide

C14H12ClN3O — CID 6920356

IUPACN-[(E)-1-(4-chlorophenyl)ethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN3O/c1-10(11-2-4-13(15)5-3-11)17-18-14(19)12-6-8-16-9-7-12/h2-9H,1H3,(H,18,19)/b17-10+
InChIKeyFJXUUGVIVZHNES-LICLKQGHSA-N
MW273.72 g/mol
LogP2.89
Rot. Bonds3

About N-[(E)-1-(4-chlorophenyl)ethylideneamino]pyridine-4-carboxamide

N-[(E)-1-(4-chlorophenyl)ethylideneamino]pyridine-4-carboxamide (PubChem CID 6920356) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is N-[(E)-1-(4-chlorophenyl)ethylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(4-chlorophenyl)ethylideneamino]pyridine-4-carboxamide
PubChem CID6920356
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC NameN-[(E)-1-(4-chlorophenyl)ethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN3O/c1-10(11-2-4-13(15)5-3-11)17-18-14(19)12-6-8-16-9-7-12/h2-9H,1H3,(H,18,19)/b17-10+
InChIKeyFJXUUGVIVZHNES-LICLKQGHSA-N
XLogP2.89
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.89
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)-1-(4-chlorophenyl)ethylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-1-(4-chlorophenyl)ethylideneamino]pyridine-4-carboxamide (CID 6920356) is N-[(E)-1-(4-chlorophenyl)ethylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-1-(4-chlorophenyl)ethylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-1-(4-chlorophenyl)ethylideneamino]pyridine-4-carboxamide is C/C(=N\NC(=O)c1ccncc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(E)-1-(4-chlorophenyl)ethylideneamino]pyridine-4-carboxamide?
The InChIKey is FJXUUGVIVZHNES-LICLKQGHSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-10(11-2-4-13(15)5-3-11)17-18-14(19)12-6-8-16-9-7-12/h2-9H,1H3,(H,18,19)/b17-10+.
What are the key properties of N-[(E)-1-(4-chlorophenyl)ethylideneamino]pyridine-4-carboxamide?
N-[(E)-1-(4-chlorophenyl)ethylideneamino]pyridine-4-carboxamide has a molecular weight of 273.72 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-chlorophenyl)ethylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 6920356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).