N-[(Z)-1-phenylethylideneamino]pyridine-4-carboxamide

C14H13N3O — CID 5411370

IUPACN-[(Z)-1-phenylethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N/NC(=O)c1ccncc1)c1ccccc1
InChIInChI=1S/C14H13N3O/c1-11(12-5-3-2-4-6-12)16-17-14(18)13-7-9-15-10-8-13/h2-10H,1H3,(H,17,18)/b16-11-
InChIKeyKBNUSICRUXGHRJ-WJDWOHSUSA-N
MW239.28 g/mol
LogP2.24
Rot. Bonds3

About N-[(Z)-1-phenylethylideneamino]pyridine-4-carboxamide

N-[(Z)-1-phenylethylideneamino]pyridine-4-carboxamide (PubChem CID 5411370) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[(Z)-1-phenylethylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-phenylethylideneamino]pyridine-4-carboxamide
PubChem CID5411370
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC NameN-[(Z)-1-phenylethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N/NC(=O)c1ccncc1)c1ccccc1
InChIInChI=1S/C14H13N3O/c1-11(12-5-3-2-4-6-12)16-17-14(18)13-7-9-15-10-8-13/h2-10H,1H3,(H,17,18)/b16-11-
InChIKeyKBNUSICRUXGHRJ-WJDWOHSUSA-N
XLogP2.24
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.24
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-[(Z)-1-phenylethylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(Z)-1-phenylethylideneamino]pyridine-4-carboxamide (CID 5411370) is N-[(Z)-1-phenylethylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-1-phenylethylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-1-phenylethylideneamino]pyridine-4-carboxamide is C/C(=N/NC(=O)c1ccncc1)c1ccccc1.
What is the InChIKey of N-[(Z)-1-phenylethylideneamino]pyridine-4-carboxamide?
The InChIKey is KBNUSICRUXGHRJ-WJDWOHSUSA-N. The full InChI is InChI=1S/C14H13N3O/c1-11(12-5-3-2-4-6-12)16-17-14(18)13-7-9-15-10-8-13/h2-10H,1H3,(H,17,18)/b16-11-.
What are the key properties of N-[(Z)-1-phenylethylideneamino]pyridine-4-carboxamide?
N-[(Z)-1-phenylethylideneamino]pyridine-4-carboxamide has a molecular weight of 239.28 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-phenylethylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 5411370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).