N-[(E)-(4-ethylphenyl)methylideneamino]pyridine-2-carboxamide

C15H15N3O — CID 6879789

IUPACN-[(E)-(4-ethylphenyl)methylideneamino]pyridine-2-carboxamide
SMILESCCc1ccc(/C=N/NC(=O)c2ccccn2)cc1
InChIInChI=1S/C15H15N3O/c1-2-12-6-8-13(9-7-12)11-17-18-15(19)14-5-3-4-10-16-14/h3-11H,2H2,1H3,(H,18,19)/b17-11+
InChIKeyKQGQCIDNQUHGHZ-GZTJUZNOSA-N
MW253.31 g/mol
LogP2.41
Rot. Bonds4

About N-[(E)-(4-ethylphenyl)methylideneamino]pyridine-2-carboxamide

N-[(E)-(4-ethylphenyl)methylideneamino]pyridine-2-carboxamide (PubChem CID 6879789) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[(E)-(4-ethylphenyl)methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-ethylphenyl)methylideneamino]pyridine-2-carboxamide
PubChem CID6879789
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC NameN-[(E)-(4-ethylphenyl)methylideneamino]pyridine-2-carboxamide
SMILESCCc1ccc(/C=N/NC(=O)c2ccccn2)cc1
InChIInChI=1S/C15H15N3O/c1-2-12-6-8-13(9-7-12)11-17-18-15(19)14-5-3-4-10-16-14/h3-11H,2H2,1H3,(H,18,19)/b17-11+
InChIKeyKQGQCIDNQUHGHZ-GZTJUZNOSA-N
XLogP2.41
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.41
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)-(4-ethylphenyl)methylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(E)-(4-ethylphenyl)methylideneamino]pyridine-2-carboxamide (CID 6879789) is N-[(E)-(4-ethylphenyl)methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-(4-ethylphenyl)methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-(4-ethylphenyl)methylideneamino]pyridine-2-carboxamide is CCc1ccc(/C=N/NC(=O)c2ccccn2)cc1.
What is the InChIKey of N-[(E)-(4-ethylphenyl)methylideneamino]pyridine-2-carboxamide?
The InChIKey is KQGQCIDNQUHGHZ-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H15N3O/c1-2-12-6-8-13(9-7-12)11-17-18-15(19)14-5-3-4-10-16-14/h3-11H,2H2,1H3,(H,18,19)/b17-11+.
What are the key properties of N-[(E)-(4-ethylphenyl)methylideneamino]pyridine-2-carboxamide?
N-[(E)-(4-ethylphenyl)methylideneamino]pyridine-2-carboxamide has a molecular weight of 253.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-ethylphenyl)methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 6879789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).