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

C15H16N4O — CID 6861503

IUPACN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide
SMILESCN(C)c1ccc(/C=N/NC(=O)c2ccncc2)cc1
InChIInChI=1S/C15H16N4O/c1-19(2)14-5-3-12(4-6-14)11-17-18-15(20)13-7-9-16-10-8-13/h3-11H,1-2H3,(H,18,20)/b17-11+
InChIKeyMSHOEHQTHKGVOD-GZTJUZNOSA-N
MW268.32 g/mol
LogP1.91
Rot. Bonds4

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

N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide (PubChem CID 6861503) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide
PubChem CID6861503
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide
SMILESCN(C)c1ccc(/C=N/NC(=O)c2ccncc2)cc1
InChIInChI=1S/C15H16N4O/c1-19(2)14-5-3-12(4-6-14)11-17-18-15(20)13-7-9-16-10-8-13/h3-11H,1-2H3,(H,18,20)/b17-11+
InChIKeyMSHOEHQTHKGVOD-GZTJUZNOSA-N
XLogP1.91
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.91
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-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide (CID 6861503) is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide is CN(C)c1ccc(/C=N/NC(=O)c2ccncc2)cc1.
What is the InChIKey of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide?
The InChIKey is MSHOEHQTHKGVOD-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H16N4O/c1-19(2)14-5-3-12(4-6-14)11-17-18-15(20)13-7-9-16-10-8-13/h3-11H,1-2H3,(H,18,20)/b17-11+.
What are the key properties of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide?
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 6861503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).