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

C17H20N4O — CID 6879958

IUPACN-[(E)-[4-(diethylamino)phenyl]methylideneamino]pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccccn2)cc1
InChIInChI=1S/C17H20N4O/c1-3-21(4-2)15-10-8-14(9-11-15)13-19-20-17(22)16-7-5-6-12-18-16/h5-13H,3-4H2,1-2H3,(H,20,22)/b19-13+
InChIKeyHEHXSQYXUWZJIL-CPNJWEJPSA-N
MW296.37 g/mol
LogP2.69
Rot. Bonds6

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

N-[(E)-[4-(diethylamino)phenyl]methylideneamino]pyridine-2-carboxamide (PubChem CID 6879958) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]pyridine-2-carboxamide
PubChem CID6879958
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccccn2)cc1
InChIInChI=1S/C17H20N4O/c1-3-21(4-2)15-10-8-14(9-11-15)13-19-20-17(22)16-7-5-6-12-18-16/h5-13H,3-4H2,1-2H3,(H,20,22)/b19-13+
InChIKeyHEHXSQYXUWZJIL-CPNJWEJPSA-N
XLogP2.69
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(diethylamino)phenyl]methylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]pyridine-2-carboxamide (CID 6879958) is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]pyridine-2-carboxamide is CCN(CC)c1ccc(/C=N/NC(=O)c2ccccn2)cc1.
What is the InChIKey of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]pyridine-2-carboxamide?
The InChIKey is HEHXSQYXUWZJIL-CPNJWEJPSA-N. The full InChI is InChI=1S/C17H20N4O/c1-3-21(4-2)15-10-8-14(9-11-15)13-19-20-17(22)16-7-5-6-12-18-16/h5-13H,3-4H2,1-2H3,(H,20,22)/b19-13+.
What are the key properties of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]pyridine-2-carboxamide?
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]pyridine-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 6879958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).