N-[(Z)-(2-chlorophenyl)methylideneamino]pyridine-2-carboxamide

C13H10ClN3O — CID 5401990

IUPACN-[(Z)-(2-chlorophenyl)methylideneamino]pyridine-2-carboxamide
SMILESO=C(N/N=C\c1ccccc1Cl)c1ccccn1
InChIInChI=1S/C13H10ClN3O/c14-11-6-2-1-5-10(11)9-16-17-13(18)12-7-3-4-8-15-12/h1-9H,(H,17,18)/b16-9-
InChIKeyUQLGATAAIPGKPM-SXGWCWSVSA-N
MW259.70 g/mol
LogP2.50
Rot. Bonds3

About N-[(Z)-(2-chlorophenyl)methylideneamino]pyridine-2-carboxamide

N-[(Z)-(2-chlorophenyl)methylideneamino]pyridine-2-carboxamide (PubChem CID 5401990) has the molecular formula C13H10ClN3O and a molecular weight of 259.70 g/mol. Its IUPAC name is N-[(Z)-(2-chlorophenyl)methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-chlorophenyl)methylideneamino]pyridine-2-carboxamide
PubChem CID5401990
Molecular FormulaC13H10ClN3O
Molecular Weight259.70 g/mol
Exact Mass259.05
IUPAC NameN-[(Z)-(2-chlorophenyl)methylideneamino]pyridine-2-carboxamide
SMILESO=C(N/N=C\c1ccccc1Cl)c1ccccn1
InChIInChI=1S/C13H10ClN3O/c14-11-6-2-1-5-10(11)9-16-17-13(18)12-7-3-4-8-15-12/h1-9H,(H,17,18)/b16-9-
InChIKeyUQLGATAAIPGKPM-SXGWCWSVSA-N
XLogP2.50
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 52.50
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-[(Z)-(2-chlorophenyl)methylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(Z)-(2-chlorophenyl)methylideneamino]pyridine-2-carboxamide (CID 5401990) is N-[(Z)-(2-chlorophenyl)methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(Z)-(2-chlorophenyl)methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(Z)-(2-chlorophenyl)methylideneamino]pyridine-2-carboxamide is O=C(N/N=C\c1ccccc1Cl)c1ccccn1.
What is the InChIKey of N-[(Z)-(2-chlorophenyl)methylideneamino]pyridine-2-carboxamide?
The InChIKey is UQLGATAAIPGKPM-SXGWCWSVSA-N. The full InChI is InChI=1S/C13H10ClN3O/c14-11-6-2-1-5-10(11)9-16-17-13(18)12-7-3-4-8-15-12/h1-9H,(H,17,18)/b16-9-.
What are the key properties of N-[(Z)-(2-chlorophenyl)methylideneamino]pyridine-2-carboxamide?
N-[(Z)-(2-chlorophenyl)methylideneamino]pyridine-2-carboxamide has a molecular weight of 259.70 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-chlorophenyl)methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 5401990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).