N-[(E)-1-phenylethylideneamino]pyridine-3-carboxamide

C14H13N3O — CID 5479583

IUPACN-[(E)-1-phenylethylideneamino]pyridine-3-carboxamide
SMILESC/C(=N\NC(=O)c1cccnc1)c1ccccc1
InChIInChI=1S/C14H13N3O/c1-11(12-6-3-2-4-7-12)16-17-14(18)13-8-5-9-15-10-13/h2-10H,1H3,(H,17,18)/b16-11+
InChIKeyBVBXCKKSUQBFBZ-LFIBNONCSA-N
MW239.28 g/mol
LogP2.24
Rot. Bonds3

About N-[(E)-1-phenylethylideneamino]pyridine-3-carboxamide

N-[(E)-1-phenylethylideneamino]pyridine-3-carboxamide (PubChem CID 5479583) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[(E)-1-phenylethylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-phenylethylideneamino]pyridine-3-carboxamide
PubChem CID5479583
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC NameN-[(E)-1-phenylethylideneamino]pyridine-3-carboxamide
SMILESC/C(=N\NC(=O)c1cccnc1)c1ccccc1
InChIInChI=1S/C14H13N3O/c1-11(12-6-3-2-4-7-12)16-17-14(18)13-8-5-9-15-10-13/h2-10H,1H3,(H,17,18)/b16-11+
InChIKeyBVBXCKKSUQBFBZ-LFIBNONCSA-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-[(E)-1-phenylethylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-1-phenylethylideneamino]pyridine-3-carboxamide (CID 5479583) is N-[(E)-1-phenylethylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-1-phenylethylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-1-phenylethylideneamino]pyridine-3-carboxamide is C/C(=N\NC(=O)c1cccnc1)c1ccccc1.
What is the InChIKey of N-[(E)-1-phenylethylideneamino]pyridine-3-carboxamide?
The InChIKey is BVBXCKKSUQBFBZ-LFIBNONCSA-N. The full InChI is InChI=1S/C14H13N3O/c1-11(12-6-3-2-4-7-12)16-17-14(18)13-8-5-9-15-10-13/h2-10H,1H3,(H,17,18)/b16-11+.
What are the key properties of N-[(E)-1-phenylethylideneamino]pyridine-3-carboxamide?
N-[(E)-1-phenylethylideneamino]pyridine-3-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-[(E)-1-phenylethylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 5479583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).