N-[(E)-1-[4-(dimethylamino)phenyl]ethylideneamino]pyridine-4-carboxamide

C16H18N4O — CID 5399299

IUPACN-[(E)-1-[4-(dimethylamino)phenyl]ethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1ccncc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H18N4O/c1-12(13-4-6-15(7-5-13)20(2)3)18-19-16(21)14-8-10-17-11-9-14/h4-11H,1-3H3,(H,19,21)/b18-12+
InChIKeyVJJOTYKPIBLLAN-LDADJPATSA-N
MW282.35 g/mol
LogP2.30
Rot. Bonds4

About N-[(E)-1-[4-(dimethylamino)phenyl]ethylideneamino]pyridine-4-carboxamide

N-[(E)-1-[4-(dimethylamino)phenyl]ethylideneamino]pyridine-4-carboxamide (PubChem CID 5399299) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[(E)-1-[4-(dimethylamino)phenyl]ethylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-[4-(dimethylamino)phenyl]ethylideneamino]pyridine-4-carboxamide
PubChem CID5399299
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-[(E)-1-[4-(dimethylamino)phenyl]ethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1ccncc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H18N4O/c1-12(13-4-6-15(7-5-13)20(2)3)18-19-16(21)14-8-10-17-11-9-14/h4-11H,1-3H3,(H,19,21)/b18-12+
InChIKeyVJJOTYKPIBLLAN-LDADJPATSA-N
XLogP2.30
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.30
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)-1-[4-(dimethylamino)phenyl]ethylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-1-[4-(dimethylamino)phenyl]ethylideneamino]pyridine-4-carboxamide (CID 5399299) is N-[(E)-1-[4-(dimethylamino)phenyl]ethylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-1-[4-(dimethylamino)phenyl]ethylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-1-[4-(dimethylamino)phenyl]ethylideneamino]pyridine-4-carboxamide is C/C(=N\NC(=O)c1ccncc1)c1ccc(N(C)C)cc1.
What is the InChIKey of N-[(E)-1-[4-(dimethylamino)phenyl]ethylideneamino]pyridine-4-carboxamide?
The InChIKey is VJJOTYKPIBLLAN-LDADJPATSA-N. The full InChI is InChI=1S/C16H18N4O/c1-12(13-4-6-15(7-5-13)20(2)3)18-19-16(21)14-8-10-17-11-9-14/h4-11H,1-3H3,(H,19,21)/b18-12+.
What are the key properties of N-[(E)-1-[4-(dimethylamino)phenyl]ethylideneamino]pyridine-4-carboxamide?
N-[(E)-1-[4-(dimethylamino)phenyl]ethylideneamino]pyridine-4-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[4-(dimethylamino)phenyl]ethylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 5399299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).