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

C17H19N3O — CID 5334811

IUPACN-[(E)-(4-tert-butylphenyl)methylideneamino]pyridine-2-carboxamide
SMILESCC(C)(C)c1ccc(/C=N/NC(=O)c2ccccn2)cc1
InChIInChI=1S/C17H19N3O/c1-17(2,3)14-9-7-13(8-10-14)12-19-20-16(21)15-6-4-5-11-18-15/h4-12H,1-3H3,(H,20,21)/b19-12+
InChIKeyDSNAVLQCDUEVFB-XDHOZWIPSA-N
MW281.36 g/mol
LogP3.14
Rot. Bonds3

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

N-[(E)-(4-tert-butylphenyl)methylideneamino]pyridine-2-carboxamide (PubChem CID 5334811) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(E)-(4-tert-butylphenyl)methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-tert-butylphenyl)methylideneamino]pyridine-2-carboxamide
PubChem CID5334811
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[(E)-(4-tert-butylphenyl)methylideneamino]pyridine-2-carboxamide
SMILESCC(C)(C)c1ccc(/C=N/NC(=O)c2ccccn2)cc1
InChIInChI=1S/C17H19N3O/c1-17(2,3)14-9-7-13(8-10-14)12-19-20-16(21)15-6-4-5-11-18-15/h4-12H,1-3H3,(H,20,21)/b19-12+
InChIKeyDSNAVLQCDUEVFB-XDHOZWIPSA-N
XLogP3.14
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.14
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-tert-butylphenyl)methylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(E)-(4-tert-butylphenyl)methylideneamino]pyridine-2-carboxamide (CID 5334811) is N-[(E)-(4-tert-butylphenyl)methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-(4-tert-butylphenyl)methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-(4-tert-butylphenyl)methylideneamino]pyridine-2-carboxamide is CC(C)(C)c1ccc(/C=N/NC(=O)c2ccccn2)cc1.
What is the InChIKey of N-[(E)-(4-tert-butylphenyl)methylideneamino]pyridine-2-carboxamide?
The InChIKey is DSNAVLQCDUEVFB-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H19N3O/c1-17(2,3)14-9-7-13(8-10-14)12-19-20-16(21)15-6-4-5-11-18-15/h4-12H,1-3H3,(H,20,21)/b19-12+.
What are the key properties of N-[(E)-(4-tert-butylphenyl)methylideneamino]pyridine-2-carboxamide?
N-[(E)-(4-tert-butylphenyl)methylideneamino]pyridine-2-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-tert-butylphenyl)methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 5334811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).