N-[(E)-(2-chlorophenyl)methylideneamino]pyridine-3-carboxamide

C13H10ClN3O — CID 6862672

IUPACN-[(E)-(2-chlorophenyl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C/c1ccccc1Cl)c1cccnc1
InChIInChI=1S/C13H10ClN3O/c14-12-6-2-1-4-10(12)9-16-17-13(18)11-5-3-7-15-8-11/h1-9H,(H,17,18)/b16-9+
InChIKeyYJWAPOQYJZJMGO-CXUHLZMHSA-N
MW259.70 g/mol
LogP2.50
Rot. Bonds3

About N-[(E)-(2-chlorophenyl)methylideneamino]pyridine-3-carboxamide

N-[(E)-(2-chlorophenyl)methylideneamino]pyridine-3-carboxamide (PubChem CID 6862672) has the molecular formula C13H10ClN3O and a molecular weight of 259.70 g/mol. Its IUPAC name is N-[(E)-(2-chlorophenyl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-chlorophenyl)methylideneamino]pyridine-3-carboxamide
PubChem CID6862672
Molecular FormulaC13H10ClN3O
Molecular Weight259.70 g/mol
Exact Mass259.05
IUPAC NameN-[(E)-(2-chlorophenyl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C/c1ccccc1Cl)c1cccnc1
InChIInChI=1S/C13H10ClN3O/c14-12-6-2-1-4-10(12)9-16-17-13(18)11-5-3-7-15-8-11/h1-9H,(H,17,18)/b16-9+
InChIKeyYJWAPOQYJZJMGO-CXUHLZMHSA-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-[(E)-(2-chlorophenyl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]pyridine-3-carboxamide (CID 6862672) is N-[(E)-(2-chlorophenyl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-(2-chlorophenyl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-(2-chlorophenyl)methylideneamino]pyridine-3-carboxamide is O=C(N/N=C/c1ccccc1Cl)c1cccnc1.
What is the InChIKey of N-[(E)-(2-chlorophenyl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is YJWAPOQYJZJMGO-CXUHLZMHSA-N. The full InChI is InChI=1S/C13H10ClN3O/c14-12-6-2-1-4-10(12)9-16-17-13(18)11-5-3-7-15-8-11/h1-9H,(H,17,18)/b16-9+.
What are the key properties of N-[(E)-(2-chlorophenyl)methylideneamino]pyridine-3-carboxamide?
N-[(E)-(2-chlorophenyl)methylideneamino]pyridine-3-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-[(E)-(2-chlorophenyl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 6862672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).